smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@H](C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1)C1CC1 ZINC000668272891 530150577 /nfs/dbraw/zinc/15/05/77/530150577.db2.gz OMZHTVXDMBQWPM-ZDUSSCGKSA-N -1 0 388.467 0.704 50 0 GCAARM COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3cccc(Br)c3)c(=O)c1-2 ZINC000100171005 530245551 /nfs/dbraw/zinc/24/55/51/530245551.db2.gz OREDNIMQUOTMOS-JQWIXIFHSA-N -1 0 394.181 0.698 50 0 GCAARM Cc1ccc(S(=O)(=O)NCCCC(=O)[O-])c(C)c1N(C)S(C)(=O)=O ZINC000005554013 530313471 /nfs/dbraw/zinc/31/34/71/530313471.db2.gz GISQLCRXXLFPIA-UHFFFAOYSA-N -1 0 378.472 0.842 50 0 GCAARM NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000583650547 530356579 /nfs/dbraw/zinc/35/65/79/530356579.db2.gz HJTMOFGRKOYBJT-SNVBAGLBSA-N -1 0 393.215 0.022 50 0 GCAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccc(Br)cc1 ZINC000652053073 530393327 /nfs/dbraw/zinc/39/33/27/530393327.db2.gz QFIPZOIHIHJJQW-WDEREUQCSA-N -1 0 391.243 0.773 50 0 GCAARM Cc1nc(NC(=O)CN2CCC(NS(C)(=O)=O)CC2)sc1C(=O)[O-] ZINC000244673905 530524008 /nfs/dbraw/zinc/52/40/08/530524008.db2.gz HXVDFDRIABQUNI-UHFFFAOYSA-N -1 0 376.460 0.102 50 0 GCAARM O=C(CCc1n[nH]c(=O)[n-]c1=O)Nc1n[nH]c2cc(Br)ccc21 ZINC000079482937 530914458 /nfs/dbraw/zinc/91/44/58/530914458.db2.gz MAXNJLOYCGMDOJ-UHFFFAOYSA-N -1 0 379.174 0.668 50 0 GCAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1N ZINC000095464682 530919095 /nfs/dbraw/zinc/91/90/95/530919095.db2.gz NUIQGKBQOKDPGM-UHFFFAOYSA-N -1 0 391.452 0.565 50 0 GCAARM O=C([O-])CCSc1nnc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)s1 ZINC000009490926 530988214 /nfs/dbraw/zinc/98/82/14/530988214.db2.gz WKIBLZVGJBFBKE-ZETCQYMHSA-N -1 0 397.525 0.500 50 0 GCAARM O=C([O-])CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccco1 ZINC000004521518 209493671 /nfs/dbraw/zinc/49/36/71/209493671.db2.gz ZDLZKMDMBBMJLI-FDMDGMSGSA-N -1 0 399.403 0.337 50 0 GCAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000002853049 209392144 /nfs/dbraw/zinc/39/21/44/209392144.db2.gz HCIDQJNHCUYFEL-CQSZACIVSA-N -1 0 389.389 0.191 50 0 GCAARM CC1(C)[C@@H](C(=O)[O-])N2C(=O)C(Br)(Br)[C@@H]2S1(=O)=O ZINC000001323252 209318863 /nfs/dbraw/zinc/31/88/63/209318863.db2.gz DZYBRGUNKNPEKM-CVYQJGLWSA-N -1 0 391.037 0.301 50 0 biogenic GCAARM CC1(C)[C@H](C(=O)[O-])N2C(=O)C(Br)(Br)[C@H]2S1(=O)=O ZINC000001323255 209318803 /nfs/dbraw/zinc/31/88/03/209318803.db2.gz DZYBRGUNKNPEKM-BBIVZNJYSA-N -1 0 391.037 0.301 50 0 biogenic GCAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000001096573 209299989 /nfs/dbraw/zinc/29/99/89/209299989.db2.gz WVNSXHZTOZDVNN-JOAKQRRISA-N -1 0 375.424 0.258 50 0 GCAARM COc1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1N(C)S(C)(=O)=O ZINC000010435118 203920647 /nfs/dbraw/zinc/92/06/47/203920647.db2.gz HBOXWGJMDFOBLQ-UHFFFAOYSA-N -1 0 394.471 0.576 50 0 GCAARM COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1 ZINC000004370770 204042577 /nfs/dbraw/zinc/04/25/77/204042577.db2.gz RYFLMPSZHCYBBB-NSHDSACASA-N -1 0 399.407 0.778 50 0 GCAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000003864710 204021296 /nfs/dbraw/zinc/02/12/96/204021296.db2.gz WVNSXHZTOZDVNN-TZNOJPMFSA-N -1 0 375.424 0.258 50 0 GCAARM Nn1c(=O)c(CCC(=O)[O-])nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000004854793 204082935 /nfs/dbraw/zinc/08/29/35/204082935.db2.gz KYNPUPXELFHVOL-UHFFFAOYSA-N -1 0 383.817 0.754 50 0 GCAARM C[C@H]1Cn2c3c(nc2N(CCc2ccccc2)C1)n(C)c(=O)n(CC(=O)[O-])c3=O ZINC000005251908 204121604 /nfs/dbraw/zinc/12/16/04/204121604.db2.gz DLXUTYLJBVLWRM-CYBMUJFWSA-N -1 0 397.435 0.680 50 0 GCAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccccc3F)[C@H]2SC1 ZINC000006318087 204174061 /nfs/dbraw/zinc/17/40/61/204174061.db2.gz YTGHOZCLARAFPJ-MLGOLLRUSA-N -1 0 394.380 0.741 50 0 GCAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)C3CCCCC3)[C@H]2SC1 ZINC000006745195 204198442 /nfs/dbraw/zinc/19/84/42/204198442.db2.gz JRMINOVSGFETCQ-MLGOLLRUSA-N -1 0 382.438 0.868 50 0 GCAARM CS(=O)(=O)[N-]c1nc(CC(=O)N2CCN(c3ccccn3)CC2)cs1 ZINC000012324096 204396796 /nfs/dbraw/zinc/39/67/96/204396796.db2.gz MYEHFIVMCOZPFE-UHFFFAOYSA-N -1 0 381.483 0.801 50 0 GCAARM CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O ZINC000013516498 204493543 /nfs/dbraw/zinc/49/35/43/204493543.db2.gz NVGDLMUKSMHEQT-FRJWGUMJSA-N -1 0 399.300 0.339 50 0 in-vitro GCAARM CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)NCC(=O)[O-])c12 ZINC000035686299 204995454 /nfs/dbraw/zinc/99/54/54/204995454.db2.gz MJHUFNDQHSOBSZ-UHFFFAOYSA-N -1 0 390.392 0.750 50 0 GCAARM CC(=O)NC[C@@H]1CN(C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C)cc2)CCO1 ZINC000299746822 205099321 /nfs/dbraw/zinc/09/93/21/205099321.db2.gz BGPVRECNUQSVSD-MRXNPFEDSA-N -1 0 386.408 0.856 50 0 GCAARM COCCn1c2ccc(C(=O)[O-])cc2n(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000055360365 205147182 /nfs/dbraw/zinc/14/71/82/205147182.db2.gz FIABVUBCBZLXLR-BETUJISGSA-N -1 0 391.424 0.783 50 0 GCAARM C[C@H](NC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1)c1nnn[n-]1 ZINC000067852479 205264674 /nfs/dbraw/zinc/26/46/74/205264674.db2.gz PDFTXOWUQGNCAB-AWEZNQCLSA-N -1 0 396.455 0.997 50 0 GCAARM O=C([O-])CN1CCN(C(=O)CCc2cccc(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077439324 205363201 /nfs/dbraw/zinc/36/32/01/205363201.db2.gz WYEJNQVVFNUMJY-CABCVRRESA-N -1 0 384.429 0.153 50 0 GCAARM O=C([O-])CN1CC2(CCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)CC2)OC1=O ZINC000077540336 205365093 /nfs/dbraw/zinc/36/50/93/205365093.db2.gz RXMDBHOYGPKKSR-UHFFFAOYSA-N -1 0 385.380 0.983 50 0 GCAARM CS(=O)(=O)N1C[C@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@@]2(C(=O)[O-])C1 ZINC000096160578 205538476 /nfs/dbraw/zinc/53/84/76/205538476.db2.gz CBMIOCIJADMDLR-MLGOLLRUSA-N -1 0 386.857 0.687 50 0 GCAARM Cc1ccc(CCC(=O)N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)cc1 ZINC000096153721 205536381 /nfs/dbraw/zinc/53/63/81/205536381.db2.gz VSIFGEZHDOKCFJ-CRAIPNDOSA-N -1 0 380.466 0.732 50 0 GCAARM O=C([O-])/C=C\c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000096936122 205578325 /nfs/dbraw/zinc/57/83/25/205578325.db2.gz YSDDFXHRKCVTDU-KQQSKNTNSA-N -1 0 394.449 0.796 50 0 GCAARM CCNC(=O)c1ccc(N2C[C@H]3CN(S(=O)(=O)CC)C[C@@]3(C(=O)[O-])C2)nc1 ZINC000096153318 211312203 /nfs/dbraw/zinc/31/22/03/211312203.db2.gz YWMCYOQISGOGDG-GUYCJALGSA-N -1 0 396.469 0.004 50 0 GCAARM CN(C)c1cccc(C(=O)N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)c1 ZINC000096141784 211308691 /nfs/dbraw/zinc/30/86/91/211308691.db2.gz GMKUIAIBGJYTKG-CXAGYDPISA-N -1 0 381.454 0.171 50 0 GCAARM C[C@@H](CN(C)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000095970493 211289229 /nfs/dbraw/zinc/28/92/29/211289229.db2.gz VMPLCMIDSCMQOC-NSHDSACASA-N -1 0 386.426 0.257 50 0 GCAARM NC(=O)c1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000095424296 211239288 /nfs/dbraw/zinc/23/92/88/211239288.db2.gz RXPGTRGUNDUMNI-UHFFFAOYSA-N -1 0 391.405 0.078 50 0 GCAARM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCCC1=O ZINC000095473934 211246947 /nfs/dbraw/zinc/24/69/47/211246947.db2.gz GRXFJNQNLVNBSL-UHFFFAOYSA-N -1 0 398.828 0.953 50 0 GCAARM COc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1C(=O)[O-] ZINC000095349938 211220367 /nfs/dbraw/zinc/22/03/67/211220367.db2.gz KWJHVOOJLNMFFA-UHFFFAOYSA-N -1 0 394.405 0.979 50 0 GCAARM CCc1ccccc1C(=O)N1CCN(CCC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000091829517 211207483 /nfs/dbraw/zinc/20/74/83/211207483.db2.gz NJLZLBOBKIBRRA-CVEARBPZSA-N -1 0 380.466 0.647 50 0 GCAARM O=C(N[C@@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C[C@H]1O)c1cnccn1 ZINC000077388474 211132544 /nfs/dbraw/zinc/13/25/44/211132544.db2.gz NNKLVWCEYNNQNE-IUODEOHRSA-N -1 0 376.800 0.841 50 0 GCAARM CCNC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)[O-])C(C)(C)S1 ZINC000071769339 211060860 /nfs/dbraw/zinc/06/08/60/211060860.db2.gz QLMXTBBDEDJJSY-OFQRWUPVSA-N -1 0 379.482 0.744 50 0 GCAARM NS(=O)(=O)c1cc(F)cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1Br ZINC000299740815 210821750 /nfs/dbraw/zinc/82/17/50/210821750.db2.gz BWUQQLLZLPQJNU-ZCFIWIBFSA-N -1 0 395.206 0.782 50 0 GCAARM COC(=O)c1ccc(CN2CCN(C(=O)c3nn(C)cc3C(=O)[O-])CC2)cc1 ZINC000020616423 210353918 /nfs/dbraw/zinc/35/39/18/210353918.db2.gz KSLILZDZPSPVRG-UHFFFAOYSA-N -1 0 386.408 0.863 50 0 GCAARM COCC(=O)Nc1ccc(N2CCN(CC(=O)N(C)C)CC2)cc1C(=O)[O-] ZINC000064589884 136157072 /nfs/dbraw/zinc/15/70/72/136157072.db2.gz CCXQVQROOJJVSE-UHFFFAOYSA-N -1 0 378.429 0.180 50 0 GCAARM COC(=O)c1cn(-c2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc2c(=O)[nH]nc1-2 ZINC000252494861 534301132 /nfs/dbraw/zinc/30/11/32/534301132.db2.gz OGTMWAUONIILHB-UHFFFAOYSA-N -1 0 390.377 0.277 50 0 GCAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CCO1 ZINC000408513542 534537655 /nfs/dbraw/zinc/53/76/55/534537655.db2.gz WRQIWDNYOFYILU-CYBMUJFWSA-N -1 0 388.829 0.806 50 0 GCAARM O=S(=O)([N-]c1cccnc1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000408521164 534872009 /nfs/dbraw/zinc/87/20/09/534872009.db2.gz KFBOTHILDYMXTB-UHFFFAOYSA-N -1 0 383.451 0.903 50 0 GCAARM CC(=O)N1C[C@H]2CN(C(=O)CCN3Cc4ccccc4C3=O)C[C@@]2(C(=O)[O-])C1 ZINC000426478890 526685620 /nfs/dbraw/zinc/68/56/20/526685620.db2.gz KJSMDQGPVRFFTH-YWZLYKJASA-N -1 0 385.420 0.424 50 0 GCAARM CC(=O)NCc1cc2n(n1)CCN(S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C2 ZINC000426606737 526799035 /nfs/dbraw/zinc/79/90/35/526799035.db2.gz LIRZDVRHMYFMTA-UHFFFAOYSA-N -1 0 396.400 0.561 50 0 GCAARM CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000012888486 535090782 /nfs/dbraw/zinc/09/07/82/535090782.db2.gz LILPFLYCSVCBQC-ONERCXAPSA-N -1 0 392.412 0.130 50 0 biogenic GCAARM CCS(=O)(=O)N1C[C@@H]2CN(C(=O)CCc3ccccc3)C[C@]2(C(=O)[O-])C1 ZINC000096161074 570216810 /nfs/dbraw/zinc/21/68/10/570216810.db2.gz ZRVGAFFZKTZZTL-YJBOKZPZSA-N -1 0 380.466 0.814 50 0 GCAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000020614981 570272346 /nfs/dbraw/zinc/27/23/46/570272346.db2.gz ANGOTDSREWOGCP-UHFFFAOYSA-N -1 0 396.400 0.404 50 0 GCAARM COC(=O)c1ccc(CN2CCN(C(=O)c3c(C(=O)[O-])cnn3C)CC2)cc1 ZINC000020616622 570272573 /nfs/dbraw/zinc/27/25/73/570272573.db2.gz RRDQBTMECHANQV-UHFFFAOYSA-N -1 0 386.408 0.863 50 0 GCAARM CC(=O)O[C@@H]1CO[C@H](n2ncc(=S)[n-]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000035242172 570277240 /nfs/dbraw/zinc/27/72/40/570277240.db2.gz NZFFGFFXGOVKBU-JHEVNIALSA-N -1 0 387.370 0.037 50 0 biogenic GCAARM COc1cc(C(=O)[O-])c(CNC(=O)CSc2nnnn2C)c(OC)c1OC ZINC000002194502 570278472 /nfs/dbraw/zinc/27/84/72/570278472.db2.gz SEEGFFQRXSQLOZ-UHFFFAOYSA-N -1 0 397.413 0.343 50 0 GCAARM COC(=O)c1ccc(OC)c(S(=O)(=O)N2CC(CN3C(=O)COC3=O)C2)c1 ZINC000575616949 570359579 /nfs/dbraw/zinc/35/95/79/570359579.db2.gz RIGAULSBMMFSBQ-UHFFFAOYSA-N -1 0 398.393 0.081 50 0 GCAARM CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccccc1C(=O)[O-])C2 ZINC000222786811 570425803 /nfs/dbraw/zinc/42/58/03/570425803.db2.gz JITUPKIQGWZZDZ-INIZCTEOSA-N -1 0 379.438 0.675 50 0 GCAARM COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000011906347 570445983 /nfs/dbraw/zinc/44/59/83/570445983.db2.gz ANTYJDWJYCIPGB-UHFFFAOYSA-N -1 0 397.434 0.958 50 0 GCAARM CCn1c(=O)[nH]c2cc(C(=O)N[C@H](C(=O)[O-])[C@@H]3CCCOC3)ccc2c1=O ZINC000262707057 570455344 /nfs/dbraw/zinc/45/53/44/570455344.db2.gz ASLTWVBAVBTEQL-RISCZKNCSA-N -1 0 375.381 0.732 50 0 GCAARM COc1ccc2cnn(CC(=O)N3CCC[C@H](C(=O)[O-])C3)c(=O)c2c1OC ZINC000061719415 570502179 /nfs/dbraw/zinc/50/21/79/570502179.db2.gz AQUDGHLBSFAMIA-LBPRGKRZSA-N -1 0 375.381 0.737 50 0 GCAARM Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000269032869 570509926 /nfs/dbraw/zinc/50/99/26/570509926.db2.gz NGUGDATUORSGCO-LSDHHAIUSA-N -1 0 377.376 0.607 50 0 GCAARM COc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)c1 ZINC000005251898 570528907 /nfs/dbraw/zinc/52/89/07/570528907.db2.gz AFMXJJFDKQSXOQ-LLVKDONJSA-N -1 0 399.407 0.778 50 0 GCAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 ZINC000013645038 570624195 /nfs/dbraw/zinc/62/41/95/570624195.db2.gz BHXPPTPHTIPEGF-UHFFFAOYSA-N -1 0 384.318 0.890 50 0 GCAARM COC(=O)c1[nH]c2ccccc2c1[N-]S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O ZINC000012372060 570647703 /nfs/dbraw/zinc/64/77/03/570647703.db2.gz PYZKZMBTGBVPRR-UHFFFAOYSA-N -1 0 378.366 0.440 50 0 GCAARM O=C(c1ccc2c(c1)[n-]c(=S)[nH]c2=O)N1CCN(C(=O)c2cnccn2)CC1 ZINC000058178811 570716304 /nfs/dbraw/zinc/71/63/04/570716304.db2.gz OMAFYQINPGRJCB-UHFFFAOYSA-N -1 0 396.432 0.600 50 0 GCAARM CCc1nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C(=O)OC)nc(OC)n1 ZINC000013130640 570763410 /nfs/dbraw/zinc/76/34/10/570763410.db2.gz VRCCVTLTIUYXHQ-UHFFFAOYSA-N -1 0 395.397 0.740 50 0 GCAARM C[C@@H](O)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)[O-] ZINC000014169182 570826216 /nfs/dbraw/zinc/82/62/16/570826216.db2.gz DWGSIERYPHGXHY-IUODEOHRSA-N -1 0 384.454 0.815 50 0 GCAARM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2C(C)=O)cc1OC ZINC000101765900 570830665 /nfs/dbraw/zinc/83/06/65/570830665.db2.gz ZIGKEVDWZIUCIB-GFCCVEGCSA-N -1 0 388.380 0.494 50 0 GCAARM COc1cc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2)cc(OC)c1OC ZINC000101763577 570833458 /nfs/dbraw/zinc/83/34/58/570833458.db2.gz XZMKXSXQIUUIPI-VIFPVBQESA-N -1 0 376.369 0.244 50 0 GCAARM Cn1c2ccc(S(=O)(=O)Nc3ccc(-n4nn[n-]c4=O)cc3)cc2oc1=O ZINC000170610515 570866855 /nfs/dbraw/zinc/86/68/55/570866855.db2.gz RQLOUYJIUUNBNA-UHFFFAOYSA-N -1 0 388.365 0.201 50 0 GCAARM CCCNC(=O)CN1CCN(c2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)CC1 ZINC000033259933 570868896 /nfs/dbraw/zinc/86/88/96/570868896.db2.gz KDJKXBCVHYTKBZ-UHFFFAOYSA-N -1 0 398.485 0.405 50 0 GCAARM CC(C)(C)OC(=O)CCOCCOCCOCCNC(=O)/C=C/C(=O)[O-] ZINC000220112232 570894983 /nfs/dbraw/zinc/89/49/83/570894983.db2.gz AGTVQTJAUDTGKQ-SNAWJCMRSA-N -1 0 375.418 0.525 50 0 GCAARM Cc1cc(-c2ccc(C(=O)NCc3nnn[n-]3)cc2)nc(N2CCOCC2)n1 ZINC000534650487 570913868 /nfs/dbraw/zinc/91/38/68/570913868.db2.gz UNCNOQBFPCNRMA-UHFFFAOYSA-N -1 0 380.412 0.732 50 0 GCAARM COc1cc(C)cc2oc(=O)c(CC(=O)NCC(=O)NCC(=O)[O-])c(C)c12 ZINC000002117283 570952934 /nfs/dbraw/zinc/95/29/34/570952934.db2.gz GQCOMDRQCRLKFY-UHFFFAOYSA-N -1 0 376.365 0.278 50 0 biogenic GCAARM O=C(Cc1cc(=O)[nH][n-]c1=O)N1CC[C@]2(C1)CCCN(C1CCOCC1)C2=O ZINC000091624781 571018862 /nfs/dbraw/zinc/01/88/62/571018862.db2.gz XTUDMWBONMLGLX-IBGZPJMESA-N -1 0 390.440 0.038 50 0 GCAARM C[C@H](C(=O)[O-])N1CC2(CCC1=O)CCN(C(=O)C(=O)c1cccn1C)CC2 ZINC000092028084 571041639 /nfs/dbraw/zinc/04/16/39/571041639.db2.gz YVZRMMMUBMCIQP-CYBMUJFWSA-N -1 0 375.425 0.912 50 0 GCAARM CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])cc1 ZINC000095367115 571058898 /nfs/dbraw/zinc/05/88/98/571058898.db2.gz ZCNUMQCFWXSLQG-AWEZNQCLSA-N -1 0 380.422 0.633 50 0 GCAARM CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])cc1 ZINC000095367116 571059041 /nfs/dbraw/zinc/05/90/41/571059041.db2.gz ZCNUMQCFWXSLQG-CQSZACIVSA-N -1 0 380.422 0.633 50 0 GCAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000095947182 597172248 /nfs/dbraw/zinc/17/22/48/597172248.db2.gz UYSKPAPQCHXYKY-CQSZACIVSA-N -1 0 375.406 0.296 50 0 GCAARM COc1cccc(/C=C(\C(=O)N2CCO[C@@H](CC(=O)[O-])C2)n2nnnc2C)c1 ZINC000606441334 601738373 /nfs/dbraw/zinc/73/83/73/601738373.db2.gz INSZYTINBRRAMU-WNLSXJKCSA-N -1 0 387.396 0.690 50 0 GCAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)Cn2ccc(=O)[nH]c2=O)cc1OC ZINC000262458870 604665003 /nfs/dbraw/zinc/66/50/03/604665003.db2.gz QKOVTDJAGASWQF-NSHDSACASA-N -1 0 377.353 0.298 50 0 GCAARM CCc1oc(C(=O)[O-])cc1CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000888096779 638647263 /nfs/dbraw/zinc/64/72/63/638647263.db2.gz MEGOQAWJNHEDFX-UHFFFAOYSA-N -1 0 393.487 0.630 50 0 GCAARM O=C([N-]S(=O)(=O)C[C@H]1COCCO1)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000888100332 638647405 /nfs/dbraw/zinc/64/74/05/638647405.db2.gz XJVQUSRBYSTCTI-CHWSQXEVSA-N -1 0 377.365 0.948 50 0 GCAARM O=C([N-]S(=O)(=O)C[C@@H]1COCCO1)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC000888100335 638647451 /nfs/dbraw/zinc/64/74/51/638647451.db2.gz XJVQUSRBYSTCTI-STQMWFEESA-N -1 0 377.365 0.948 50 0 GCAARM COCc1cc(=O)n(-c2ccc(NS(=O)(=O)C[C@H](OC)C3CC3)cn2)[n-]1 ZINC000888096739 1192444094 /nfs/dbraw/zinc/44/40/94/1192444094.db2.gz KDNIBDCXEIYPDH-AWEZNQCLSA-N -1 0 382.442 0.987 50 0 GCAARM COc1ccccc1CNC(=O)CN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000003396603 1200047337 /nfs/dbraw/zinc/04/73/37/1200047337.db2.gz ONQFLJNQCLZCOW-UHFFFAOYSA-N -1 0 375.406 0.661 50 0 GCAARM O=C([O-])CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009134268 1200333717 /nfs/dbraw/zinc/33/37/17/1200333717.db2.gz QRLVPGYILQWNRB-JTQLQIEISA-N -1 0 398.466 0.683 50 0 GCAARM COc1ccc(-c2noc(CNC(=O)Cc3nn4c([n-]3)nc(C)cc4=O)n2)cc1 ZINC000009340503 1200373725 /nfs/dbraw/zinc/37/37/25/1200373725.db2.gz RZOWLPAARZXDMM-UHFFFAOYSA-N -1 0 395.379 0.644 50 0 GCAARM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000681944111 1201946701 /nfs/dbraw/zinc/94/67/01/1201946701.db2.gz SXZDCNPRSUKRFI-OAHLLOKOSA-N -1 0 389.408 0.345 50 0 GCAARM O=C([O-])Cn1cnc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000647782308 953982392 /nfs/dbraw/zinc/98/23/92/953982392.db2.gz FYDXUDLPHPBYSP-LBPRGKRZSA-N -1 0 375.360 0.993 50 0 GCAARM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)C1 ZINC000299751243 962940091 /nfs/dbraw/zinc/94/00/91/962940091.db2.gz QAWPMXAHUVCABM-GFCCVEGCSA-N -1 0 392.437 0.724 50 0 GCAARM OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000000899166 120166639 /nfs/dbraw/zinc/16/66/39/120166639.db2.gz HSTZMXCBWJGKHG-FSONJKCJSA-N -1 0 390.388 0.447 50 0 biogenic,in-vitro GCAARM Cc1cc(Cl)c(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1OCC(N)=O ZINC000004644023 530119032 /nfs/dbraw/zinc/11/90/32/530119032.db2.gz ZWQUONDAOXPBAZ-UHFFFAOYSA-N -1 0 390.845 0.998 50 0 GCAARM Nc1nc(=S)[nH]c([O-])c1C(c1cccnc1)c1c(N)[nH]c(=S)[nH]c1=O ZINC000008450674 530124137 /nfs/dbraw/zinc/12/41/37/530124137.db2.gz RLZZRFRUHAEDIG-UHFFFAOYSA-N -1 0 375.439 0.918 50 0 GCAARM O=C([O-])CNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000012408030 530133411 /nfs/dbraw/zinc/13/34/11/530133411.db2.gz RRMPJKJQTLKDSH-UHFFFAOYSA-N -1 0 384.439 0.293 50 0 GCAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2s1 ZINC000013691426 530136054 /nfs/dbraw/zinc/13/60/54/530136054.db2.gz SMCHAMDHOUWRSA-VIFPVBQESA-N -1 0 389.480 0.585 50 0 GCAARM COCCO[C@H](C)C(=O)[N-]S(=O)(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000072310710 530170421 /nfs/dbraw/zinc/17/04/21/530170421.db2.gz VDTCQHWZZSBUJJ-LLVKDONJSA-N -1 0 397.446 0.097 50 0 GCAARM Cc1[n-]n(Cc2ccccc2Cl)c(=O)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000101901815 530362760 /nfs/dbraw/zinc/36/27/60/530362760.db2.gz AUZWIKKLTFHBGY-TZMCWYRMSA-N -1 0 383.857 0.978 50 0 GCAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccc(Br)cc1 ZINC000652053072 530393270 /nfs/dbraw/zinc/39/32/70/530393270.db2.gz QFIPZOIHIHJJQW-QWRGUYRKSA-N -1 0 391.243 0.773 50 0 GCAARM CS(=O)(=O)c1ccc(OCCCO)c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000585138488 530527063 /nfs/dbraw/zinc/52/70/63/530527063.db2.gz VWGNDPYWBOXXPH-GFCCVEGCSA-N -1 0 393.483 0.772 50 0 GCAARM CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1)C(=O)[O-] ZINC000016650202 530561604 /nfs/dbraw/zinc/56/16/04/530561604.db2.gz ISJUYAKYAZTXJF-LBPRGKRZSA-N -1 0 376.456 0.608 50 0 GCAARM NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nccs3)o2)CC1 ZINC000035597486 530916134 /nfs/dbraw/zinc/91/61/34/530916134.db2.gz SDOYHMHHXAFVPW-UHFFFAOYSA-N -1 0 384.439 0.874 50 0 GCAARM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2ccsc2Cl)CCO1 ZINC000663026252 531029680 /nfs/dbraw/zinc/02/96/80/531029680.db2.gz ODILZOBKCDZNED-SECBINFHSA-N -1 0 396.874 0.589 50 0 GCAARM Cc1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1S(=O)(=O)[N-]c1ncccn1 ZINC000013693642 210080997 /nfs/dbraw/zinc/08/09/97/210080997.db2.gz NFHZOBGFYNWPHD-NSHDSACASA-N -1 0 396.450 0.898 50 0 GCAARM COc1ccc(-c2nc(SCC(=O)[O-])c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000004960346 209551671 /nfs/dbraw/zinc/55/16/71/209551671.db2.gz QTAXRXQDXOQMRD-UHFFFAOYSA-N -1 0 388.405 0.880 50 0 GCAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])ccc12 ZINC000002105748 209347337 /nfs/dbraw/zinc/34/73/37/209347337.db2.gz SWQOMUYOMRJXQY-CYBMUJFWSA-N -1 0 391.380 0.498 50 0 biogenic GCAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCC(=O)NCC(=O)[O-])cc2oc1=O ZINC000002091935 209345957 /nfs/dbraw/zinc/34/59/57/209345957.db2.gz UDGFVHSSANODGZ-NSHDSACASA-N -1 0 376.365 0.494 50 0 biogenic GCAARM CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000261492885 212029846 /nfs/dbraw/zinc/02/98/46/212029846.db2.gz LSGQBKXSCAVGDH-FPMFFAJLSA-N -1 0 384.454 0.985 50 0 GCAARM NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000003456821 204007261 /nfs/dbraw/zinc/00/72/61/204007261.db2.gz OZSAETMVUPPNPB-UHFFFAOYSA-N -1 0 384.435 0.553 50 0 GCAARM CC(C)N(C(=O)CSc1nnc(CCC(=O)[O-])c(=O)n1N)c1ccccc1 ZINC000005256960 204121689 /nfs/dbraw/zinc/12/16/89/204121689.db2.gz JUEBUEXNXNIKFR-UHFFFAOYSA-N -1 0 391.453 0.903 50 0 GCAARM Cc1ccc(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)n2N)cc1C ZINC000005256953 204122158 /nfs/dbraw/zinc/12/21/58/204122158.db2.gz IJGTXHLWOMUOKG-UHFFFAOYSA-N -1 0 377.426 0.717 50 0 GCAARM C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCCCC(=O)[O-] ZINC000005268809 204123573 /nfs/dbraw/zinc/12/35/73/204123573.db2.gz LQFWOBJHXHCORT-RYUDHWBXSA-N -1 0 379.388 0.664 50 0 GCAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O ZINC000006354322 204176309 /nfs/dbraw/zinc/17/63/09/204176309.db2.gz FETZYDJQKAFENO-UHFFFAOYSA-N -1 0 396.355 0.791 50 0 GCAARM CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(=O)[O-])CC2)cc1 ZINC000006759900 204200421 /nfs/dbraw/zinc/20/04/21/204200421.db2.gz QYUOLUXPWVTZIX-UHFFFAOYSA-N -1 0 397.453 0.637 50 0 GCAARM O=C([O-])CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCc1ccccc1 ZINC000012137036 204373647 /nfs/dbraw/zinc/37/36/47/204373647.db2.gz QYSWBUUPPFQFFZ-HNNXBMFYSA-N -1 0 376.409 0.744 50 0 GCAARM Cc1cn2c(nc3c2c(=O)n(CCc2ccccc2)c(=O)n3C)n1CC(=O)[O-] ZINC000012296598 204389157 /nfs/dbraw/zinc/38/91/57/204389157.db2.gz AQGLDCWMLUMROP-UHFFFAOYSA-N -1 0 381.392 0.785 50 0 biogenic GCAARM O=C(NCCCn1ccnc1)c1cnc([O-])n(Cc2ccc3c(c2)OCO3)c1=O ZINC000077099869 205031977 /nfs/dbraw/zinc/03/19/77/205031977.db2.gz 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O=C([O-])[C@@H]1CN(c2ncccn2)CCN1C(=O)CCc1ccc2c(c1)OCO2 ZINC000071403975 205283081 /nfs/dbraw/zinc/28/30/81/205283081.db2.gz YDACMLAUIJATAF-AWEZNQCLSA-N -1 0 384.392 0.940 50 0 GCAARM CC(C)CCN1C(=O)CC[C@H]2CN(C(=O)Cc3cc(=O)[nH][n-]c3=O)CC[C@H]21 ZINC000072447230 205353148 /nfs/dbraw/zinc/35/31/48/205353148.db2.gz ADTGALASPSTSEY-DZGCQCFKSA-N -1 0 376.457 0.904 50 0 GCAARM Cc1nnnn1CCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000218737549 211763564 /nfs/dbraw/zinc/76/35/64/211763564.db2.gz OAWNDYHOBYWMIW-HUUCEWRRSA-N -1 0 375.385 0.423 50 0 GCAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000006471384 205776695 /nfs/dbraw/zinc/77/66/95/205776695.db2.gz XPSXLHVREWKYPW-UHFFFAOYSA-N -1 0 397.478 0.678 50 0 GCAARM COC(=O)CCOCCOCCOCCOCCOCCOCCC(=O)[O-] ZINC000258329526 206183724 /nfs/dbraw/zinc/18/37/24/206183724.db2.gz AQDNMXGBKPHQBA-UHFFFAOYSA-N -1 0 396.433 0.124 50 0 GCAARM Cc1cc(=NC(=O)Cc2ccccc2C(=O)[O-])n([C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159170 206195714 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NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000269084007 530169263 /nfs/dbraw/zinc/16/92/63/530169263.db2.gz KVYSJNFKKASBDK-SNVBAGLBSA-N -1 0 377.216 0.786 50 0 GCAARM COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000101158953 530360909 /nfs/dbraw/zinc/36/09/09/530360909.db2.gz NBJKIYUNCQGKTF-CMPLNLGQSA-N -1 0 394.181 0.698 50 0 GCAARM COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000101158943 530360947 /nfs/dbraw/zinc/36/09/47/530360947.db2.gz NBJKIYUNCQGKTF-ZYHUDNBSSA-N -1 0 394.181 0.698 50 0 GCAARM Cn1c([O-])c(C2=NN[C@@H](c3ccc(Br)cc3)C2)c(=O)n(C)c1=O ZINC000101761663 530362318 /nfs/dbraw/zinc/36/23/18/530362318.db2.gz ZCSYORJBMBAVNV-SNVBAGLBSA-N -1 0 379.214 0.991 50 0 GCAARM O=S(=O)([N-]c1cccnc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000297816042 530405291 /nfs/dbraw/zinc/40/52/91/530405291.db2.gz IVCSENGPZSPTDI-UHFFFAOYSA-N -1 0 383.451 0.903 50 0 GCAARM CC(C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000170598624 530632495 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399.407 0.778 50 0 GCAARM CCn1ncc([N-]S(=O)(=O)c2cnn(C)c2C)c1C(=O)N1CCOCC1 ZINC000002804268 209388655 /nfs/dbraw/zinc/38/86/55/209388655.db2.gz LJZCNBSEKZZWLA-UHFFFAOYSA-N -1 0 382.446 0.218 50 0 GCAARM CCN(CC)S(=O)(=O)CCP(=O)([O-])CCS(=O)(=O)N(CC)CC ZINC000002811399 209388314 /nfs/dbraw/zinc/38/83/14/209388314.db2.gz LXQQCVWFUAQCIF-UHFFFAOYSA-N -1 0 392.480 0.600 50 0 GCAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)[O-])ccc12 ZINC000002146550 209347064 /nfs/dbraw/zinc/34/70/64/209347064.db2.gz HSQBZWPTTASABT-UHFFFAOYSA-N -1 0 390.392 0.750 50 0 biogenic GCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2 ZINC000004889220 204087689 /nfs/dbraw/zinc/08/76/89/204087689.db2.gz CXZYHNBMQZRGSN-IUCAKERBSA-N -1 0 399.144 0.281 50 0 GCAARM C[C@@H]1Cn2c(nc3c2c(=O)n(CC(=O)[O-])c(=O)n3C)N(c2ccc(F)cc2)C1 ZINC000005251901 204122168 /nfs/dbraw/zinc/12/21/68/204122168.db2.gz VMXZCSNAMJKNOC-JTQLQIEISA-N -1 0 387.371 0.908 50 0 GCAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)cc2s1 ZINC000012324146 204397156 /nfs/dbraw/zinc/39/71/56/204397156.db2.gz XBZIOSLJJQDJNG-SECBINFHSA-N -1 0 387.464 0.708 50 0 GCAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(-n2nnc(C(N)=O)n2)cc1 ZINC000070999718 205024797 /nfs/dbraw/zinc/02/47/97/205024797.db2.gz VASCILQQGOLQLW-UHFFFAOYSA-N -1 0 388.409 0.879 50 0 GCAARM CCOCCn1c(=O)n(C[C@H](C)N2CCOCC2)c2cc(C(=O)[O-])cnc21 ZINC000055358734 205148108 /nfs/dbraw/zinc/14/81/08/205148108.db2.gz ZCOJZJJEJOBLHJ-ZDUSSCGKSA-N -1 0 378.429 0.653 50 0 GCAARM C[C@@H](NC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1)c1nnn[n-]1 ZINC000067852482 205263836 /nfs/dbraw/zinc/26/38/36/205263836.db2.gz PDFTXOWUQGNCAB-CQSZACIVSA-N -1 0 396.455 0.997 50 0 GCAARM CC[C@@H](C(=O)N1CCc2c(c(C(=O)[O-])nn2CC2CC2)C1)N1CCOCC1 ZINC000067894636 205266267 /nfs/dbraw/zinc/26/62/67/205266267.db2.gz FHHLKIONQODAAY-HNNXBMFYSA-N -1 0 376.457 0.987 50 0 GCAARM CS(=O)(=O)N1CCCN(Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)CC1 ZINC000067934104 205267660 /nfs/dbraw/zinc/26/76/60/205267660.db2.gz 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biogenic GCAARM O=S(=O)([N-]c1nccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097123637 211358680 /nfs/dbraw/zinc/35/86/80/211358680.db2.gz GAJPZBJKMFTPCJ-UHFFFAOYSA-N -1 0 389.480 0.965 50 0 GCAARM Cc1cc(C2CCC2)nc(N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)n1 ZINC000096133751 211305127 /nfs/dbraw/zinc/30/51/27/211305127.db2.gz FWQXLCUDJNNFME-CXAGYDPISA-N -1 0 380.470 0.835 50 0 GCAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)c1ccnc(-n3cnnc3)c1)C2 ZINC000091444461 211192651 /nfs/dbraw/zinc/19/26/51/211192651.db2.gz OTKBKWCNJPONPQ-UHFFFAOYSA-N -1 0 381.396 0.922 50 0 GCAARM CN(CC(=O)N1CCC2(CN(CC(=O)[O-])C(=O)O2)CC1)Cc1cccnc1 ZINC000077300712 211129679 /nfs/dbraw/zinc/12/96/79/211129679.db2.gz PLGSEJRAPHQVGN-UHFFFAOYSA-N -1 0 376.413 0.411 50 0 GCAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000020602711 210350400 /nfs/dbraw/zinc/35/04/00/210350400.db2.gz GMJXJLAESVTGJZ-UHFFFAOYSA-N -1 0 378.410 0.265 50 0 GCAARM COc1ccc(F)cc1[C@H](C(=O)[O-])N1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000063856989 136156438 /nfs/dbraw/zinc/15/64/38/136156438.db2.gz DOCMRHHAMKYTPP-QGZVFWFLSA-N -1 0 376.388 0.876 50 0 GCAARM COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NC(C)(C)C(=O)[O-])CO2 ZINC000071747542 136165981 /nfs/dbraw/zinc/16/59/81/136165981.db2.gz BMBOJOKIJNMQMQ-ZDUSSCGKSA-N -1 0 393.440 0.630 50 0 GCAARM CN1CCO[C@H](CNc2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)C1 ZINC000096135851 136184134 /nfs/dbraw/zinc/18/41/34/136184134.db2.gz DNLHKPJPNQRPNG-CYBMUJFWSA-N -1 0 379.461 0.418 50 0 GCAARM Cc1cccc(N2CCN(CC(=O)N3Cc4nc[nH]c4C[C@H]3C(=O)[O-])CC2)c1 ZINC000096166356 136184804 /nfs/dbraw/zinc/18/48/04/136184804.db2.gz GPPBXVSASQEUIE-SFHVURJKSA-N -1 0 383.452 0.878 50 0 GCAARM Cc1cc2ncc(C(=O)N3C[C@@H]4c5ccccc5OC[C@]4(CO)C3)c(=O)n2[n-]1 ZINC000102223910 570256629 /nfs/dbraw/zinc/25/66/29/570256629.db2.gz XXQWKANRYLWQKO-FOIQADDNSA-N -1 0 380.404 0.942 50 0 GCAARM COc1ccc([C@@H](NC(=O)c2cnc3nc(C)[n-]n3c2=O)[C@H]2C[C@@H](O)C2)cn1 ZINC000334159465 570289887 /nfs/dbraw/zinc/28/98/87/570289887.db2.gz LLCIRHXMUDBRRU-TYNCELHUSA-N -1 0 384.396 0.372 50 0 GCAARM CCc1ccc(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)n2N)cc1 ZINC000004854811 570349167 /nfs/dbraw/zinc/34/91/67/570349167.db2.gz FPASDZCPMWJHOP-UHFFFAOYSA-N -1 0 377.426 0.663 50 0 GCAARM C/C=C/C1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 ZINC000003776970 570350751 /nfs/dbraw/zinc/35/07/51/570350751.db2.gz WDLWHQDACQUCJR-ZAMMOSSLSA-N -1 0 389.433 0.707 50 0 fda GCAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cc3ccccc3)[C@H]2SC1 ZINC000006318089 570377191 /nfs/dbraw/zinc/37/71/91/570377191.db2.gz GOFCPYKUMJBHBH-WMLDXEAASA-N -1 0 390.417 0.531 50 0 GCAARM CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1cccc(C(=O)[O-])c1)C2 ZINC000221164027 570391382 /nfs/dbraw/zinc/39/13/82/570391382.db2.gz QRFLESGAKMYOGH-MRXNPFEDSA-N -1 0 379.438 0.675 50 0 GCAARM O=C([O-])CNC(=O)CNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000011866874 570441890 /nfs/dbraw/zinc/44/18/90/570441890.db2.gz KEQPVXKUICLYQV-UHFFFAOYSA-N -1 0 388.376 0.368 50 0 GCAARM Cn1ccnc1CN1CCN(C(=O)CC[C@]2(CCC(=O)[O-])CCC(=O)N2)CC1 ZINC000223167793 570447866 /nfs/dbraw/zinc/44/78/66/570447866.db2.gz LVTRNAUPQHXUEJ-IBGZPJMESA-N -1 0 391.472 0.358 50 0 GCAARM C[C@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000006602854 570493291 /nfs/dbraw/zinc/49/32/91/570493291.db2.gz ZEGUMFFADBKMSG-CZOCAIASSA-N -1 0 379.457 0.398 50 0 GCAARM COc1ccc(CN2C[C@@H](C(=O)N3CCO[C@H](CC(=O)[O-])C3)CC2=O)cc1 ZINC000262879320 570699320 /nfs/dbraw/zinc/69/93/20/570699320.db2.gz YSEWPZLRMKNEMO-GOEBONIOSA-N -1 0 376.409 0.746 50 0 GCAARM CCC(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)=C1C(=O)[N-]C(=O)NC1=O ZINC000101084595 570797994 /nfs/dbraw/zinc/79/79/94/570797994.db2.gz JUEXFRGQARFZCE-AWEZNQCLSA-N -1 0 384.392 0.872 50 0 GCAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@H]1c1ccc2c(c1)OCO2 ZINC000101766207 570830947 /nfs/dbraw/zinc/83/09/47/570830947.db2.gz XIOAAZFGBUMPOH-NSHDSACASA-N -1 0 386.364 0.596 50 0 GCAARM Cn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000032913176 570916347 /nfs/dbraw/zinc/91/63/47/570916347.db2.gz YRIKVYXYBSXSSS-UHFFFAOYSA-N -1 0 393.450 0.930 50 0 GCAARM CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O ZINC000017127864 570919393 /nfs/dbraw/zinc/91/93/93/570919393.db2.gz LSGQBKXSCAVGDH-KWCYVHTRSA-N -1 0 384.454 0.985 50 0 GCAARM O=C(NCCn1nc2c(cc1=O)CCC2)c1cnc([O-])n(Cc2ccco2)c1=O ZINC000585150092 570983515 /nfs/dbraw/zinc/98/35/15/570983515.db2.gz AHQJZCFAUFRYHR-UHFFFAOYSA-N -1 0 397.391 0.066 50 0 GCAARM O=C([O-])CCN1CCN(Cc2ccc(C(=O)[O-])cc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091381308 571005350 /nfs/dbraw/zinc/00/53/50/571005350.db2.gz IVJOYJDPIPOYAL-CABCVRRESA-N -1 0 382.438 0.143 50 0 GCAARM COc1cccc([C@@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2C(=O)[O-])c1OC ZINC000092106740 571045389 /nfs/dbraw/zinc/04/53/89/571045389.db2.gz RAPAKEFTKCIHQA-UONOGXRCSA-N -1 0 376.409 0.953 50 0 GCAARM COc1cccc2c1OC[C@]1(C(=O)[O-])CN(C(=O)CN3CCOCC3)C[C@H]21 ZINC000095511360 571082058 /nfs/dbraw/zinc/08/20/58/571082058.db2.gz 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O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)NCC3(CF)CCOCC3)CC2)C1 ZINC000652096562 968622040 /nfs/dbraw/zinc/62/20/40/968622040.db2.gz KGQKXPDMFZGQLK-CYBMUJFWSA-N -1 0 385.436 0.860 50 0 GCAARM O=C([O-])c1ccc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)nc1 ZINC000649463965 975422000 /nfs/dbraw/zinc/42/20/00/975422000.db2.gz HALHCSXETYHJJK-UHFFFAOYSA-N -1 0 383.408 0.644 50 0 GCAARM CCOC(=O)N1CCC(NC(=O)Cc2csc([N-]S(C)(=O)=O)n2)CC1 ZINC000013684020 530136424 /nfs/dbraw/zinc/13/64/24/530136424.db2.gz VLIMEGLPVHNKSL-UHFFFAOYSA-N -1 0 390.487 0.794 50 0 GCAARM CCS(=O)(=O)N1C[C@@H]2CN(C(=O)Cc3csc(C)n3)C[C@]2(C(=O)[O-])C1 ZINC000096137389 530242060 /nfs/dbraw/zinc/24/20/60/530242060.db2.gz VTJWYYUMJNMLKB-NHYWBVRUSA-N -1 0 387.483 0.189 50 0 GCAARM O=C([O-])CNC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000238170268 530274121 /nfs/dbraw/zinc/27/41/21/530274121.db2.gz ZQRUMTWRPBVLCN-UHFFFAOYSA-N -1 0 388.237 0.907 50 0 GCAARM Cc1[n-]n(Cc2ccccc2Cl)c(=O)c1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000101901820 530362480 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Cc1cc(C)c(S(=O)(=O)NCCCC(=O)[O-])cc1N(C)S(C)(=O)=O ZINC000009849123 530988750 /nfs/dbraw/zinc/98/87/50/530988750.db2.gz PAFGMLYBLKEPKB-UHFFFAOYSA-N -1 0 378.472 0.842 50 0 GCAARM COc1ccc(C)cc1NC(=O)CSc1nnc(CCC(=O)[O-])c(=O)n1N ZINC000012347587 209942919 /nfs/dbraw/zinc/94/29/19/209942919.db2.gz PZJQZFKRJRGAPV-UHFFFAOYSA-N -1 0 393.425 0.417 50 0 GCAARM C[C@H]1Cn2c3c(nc2N(C2CCCCC2)C1)n(C)c(=O)n(CC(=O)[O-])c3=O ZINC000006678315 209668288 /nfs/dbraw/zinc/66/82/88/209668288.db2.gz DNFFJVCGEQEHKV-LLVKDONJSA-N -1 0 375.429 0.770 50 0 GCAARM CN1C(=O)[N-]C(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@H]32)C1=O ZINC000002206602 209350501 /nfs/dbraw/zinc/35/05/01/209350501.db2.gz OVKWEUHSOOQLRA-RBZFPXEDSA-N -1 0 395.419 0.694 50 0 GCAARM CC1(C)[C@@H](C(=O)[O-])N2C(=O)C(Br)(Br)[C@H]2S1(=O)=O ZINC000001323253 209319723 /nfs/dbraw/zinc/31/97/23/209319723.db2.gz DZYBRGUNKNPEKM-AWFVSMACSA-N -1 0 391.037 0.301 50 0 biogenic GCAARM Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc1OCC(N)=O ZINC000003889989 204021390 /nfs/dbraw/zinc/02/13/90/204021390.db2.gz NXDBMMMUYUWVBP-CYBMUJFWSA-N -1 0 378.834 0.900 50 0 GCAARM CC(C)Cc1ccc([C@@H](C)C(=O)O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000005760151 204150078 /nfs/dbraw/zinc/15/00/78/204150078.db2.gz ABOLXXZAJIAUGR-WIUBSLGXSA-N -1 0 382.409 0.424 50 0 endogenous,world GCAARM O=C([O-])Cn1c(=O)c2c3c(sc2n(CCN2CCOCC2)c1=O)CCCC3 ZINC000006661224 204190707 /nfs/dbraw/zinc/19/07/07/204190707.db2.gz NNZGYKPEAAHOCZ-UHFFFAOYSA-N -1 0 393.465 0.520 50 0 GCAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)C3CCCCC3)[C@H]2SC1 ZINC000006745214 204198203 /nfs/dbraw/zinc/19/82/03/204198203.db2.gz JRMINOVSGFETCQ-BLLLJJGKSA-N -1 0 382.438 0.868 50 0 GCAARM CC1(C)[C@H](C(=O)[O-])N2C(=O)C(Br)(Br)[C@H]2[S@]1=O ZINC000008733250 204286933 /nfs/dbraw/zinc/28/69/33/204286933.db2.gz AYTKEKBIWRHMGU-WFBCCXSOSA-N -1 0 375.038 0.635 50 0 biogenic GCAARM CNS(=O)(=O)CCN(Cc1ccncc1)C(=O)c1ccccc1C(=O)[O-] ZINC000009306213 204305771 /nfs/dbraw/zinc/30/57/71/204305771.db2.gz KBVLXQQYBQNOPW-UHFFFAOYSA-N -1 0 377.422 0.971 50 0 GCAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)N[C@H]3C=CS(=O)(=O)C3)cc2s1 ZINC000012324145 204396923 /nfs/dbraw/zinc/39/69/23/204396923.db2.gz XBZIOSLJJQDJNG-VIFPVBQESA-N -1 0 387.464 0.708 50 0 GCAARM Cc1c(C)n(-c2ccccc2F)c2nc3c(c(=O)n(CC(=O)[O-])c(=O)n3C)n12 ZINC000013734102 204510500 /nfs/dbraw/zinc/51/05/00/204510500.db2.gz GCCMFVFTNPVOBK-UHFFFAOYSA-N -1 0 385.355 0.979 50 0 GCAARM Cn1c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2n(C)c1=O ZINC000041091410 205077319 /nfs/dbraw/zinc/07/73/19/205077319.db2.gz ZQKFSQSRXKUFDB-CQSZACIVSA-N -1 0 389.433 0.851 50 0 GCAARM C[N@@H+]1CCN(Cc2cnc([N-]S(=O)(=O)c3ccccc3)nc2)C[C@@H]1C(=O)[O-] ZINC000067714174 205256448 /nfs/dbraw/zinc/25/64/48/205256448.db2.gz LARDJTJURATDCS-OAHLLOKOSA-N -1 0 391.453 0.478 50 0 GCAARM COc1cc(C)ccc1S(=O)(=O)N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-] ZINC000095391043 205454879 /nfs/dbraw/zinc/45/48/79/205454879.db2.gz RMHISHPDEFEATR-GFCCVEGCSA-N -1 0 382.438 0.748 50 0 GCAARM CCS(=O)(=O)N1C[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@]2(C(=O)[O-])C1 ZINC000096179730 205541539 /nfs/dbraw/zinc/54/15/39/205541539.db2.gz OAVYZVYBJLMBLK-GUYCJALGSA-N -1 0 384.429 0.563 50 0 GCAARM O=C([O-])CS(=O)(=O)CC(=O)Nc1cccc(I)c1 ZINC000097095892 205584562 /nfs/dbraw/zinc/58/45/62/205584562.db2.gz BCSSTMDRINEQDW-UHFFFAOYSA-N -1 0 383.163 0.729 50 0 GCAARM O=C([O-])c1cccc(NC(=O)CN2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC000299784495 206190247 /nfs/dbraw/zinc/19/02/47/206190247.db2.gz NYWNWLIEZIFVFA-UHFFFAOYSA-N -1 0 375.425 0.894 50 0 GCAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)Nc1cnn(C)c1C ZINC000002804397 206212653 /nfs/dbraw/zinc/21/26/53/206212653.db2.gz NFNVATSWEBLNMV-UHFFFAOYSA-N -1 0 392.445 0.557 50 0 GCAARM CCOc1ccc(-n2c(O)c3n(CCC(C)=O)[n-]c(C(=O)OC)c-3c2=O)cc1 ZINC000100939250 211394328 /nfs/dbraw/zinc/39/43/28/211394328.db2.gz JMFXDEJXYIDWBH-HOCLYGCPSA-N -1 0 387.392 0.767 50 0 GCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2 ZINC000100859866 211393187 /nfs/dbraw/zinc/39/31/87/211393187.db2.gz CXZYHNBMQZRGSN-DTWKUNHWSA-N -1 0 399.144 0.281 50 0 GCAARM Cc1ccccc1N(CC(=O)NC1(CC(=O)[O-])CCOCC1)S(C)(=O)=O ZINC000095970223 211289755 /nfs/dbraw/zinc/28/97/55/211289755.db2.gz JMWJVYJULOWAAT-UHFFFAOYSA-N -1 0 384.454 0.901 50 0 GCAARM COc1ccc(CC(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])cc1OC ZINC000095375419 211230815 /nfs/dbraw/zinc/23/08/15/211230815.db2.gz FUNAAIIWHFYKDM-ZDUSSCGKSA-N -1 0 376.409 0.828 50 0 GCAARM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000091626279 211198435 /nfs/dbraw/zinc/19/84/35/211198435.db2.gz ILTZHDNGKDXSBS-GFCCVEGCSA-N -1 0 377.832 0.849 50 0 GCAARM COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCc2nc(=O)o[n-]2)C(C)C)c1 ZINC000089791075 211183253 /nfs/dbraw/zinc/18/32/53/211183253.db2.gz PTHMPGUXAHBQRF-AWEZNQCLSA-N -1 0 378.385 0.451 50 0 GCAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000089512369 211181030 /nfs/dbraw/zinc/18/10/30/211181030.db2.gz MSRRCXCRPOOTTR-ZDUSSCGKSA-N -1 0 391.453 0.286 50 0 GCAARM O=C([O-])CN1CCN(C(=O)c2ccc3cc[nH]c3c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077486935 211136299 /nfs/dbraw/zinc/13/62/99/211136299.db2.gz KMAUAGUVKPONGK-CABCVRRESA-N -1 0 377.422 0.176 50 0 GCAARM O=C([O-])c1cc(-n2cc(CCO)cn2)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000071759425 211058391 /nfs/dbraw/zinc/05/83/91/211058391.db2.gz QEVSSQXUZVYZFC-UHFFFAOYSA-N -1 0 397.478 0.843 50 0 GCAARM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)cc2oc1=O ZINC000019936580 210308666 /nfs/dbraw/zinc/30/86/66/210308666.db2.gz ILYRWVKOCOKFEN-UHFFFAOYSA-N -1 0 383.407 0.580 50 0 GCAARM COCCNC(=O)CN1CCN(c2ccc(NC(C)=O)c(C(=O)[O-])c2)CC1 ZINC000064590022 136157153 /nfs/dbraw/zinc/15/71/53/136157153.db2.gz YVYBMOMIMKATFP-UHFFFAOYSA-N -1 0 378.429 0.228 50 0 GCAARM COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NC(C)(C)C(=O)[O-])CO2 ZINC000071747541 136165937 /nfs/dbraw/zinc/16/59/37/136165937.db2.gz BMBOJOKIJNMQMQ-CYBMUJFWSA-N -1 0 393.440 0.630 50 0 GCAARM CN(CC(=O)[O-])C(=O)C[C@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C ZINC000071764641 136166319 /nfs/dbraw/zinc/16/63/19/136166319.db2.gz UBZIEABHSDIEHV-AWEZNQCLSA-N -1 0 391.424 0.289 50 0 GCAARM CC(C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccccn1 ZINC000408514345 527352028 /nfs/dbraw/zinc/35/20/28/527352028.db2.gz UCCPEJIJZSJDAX-UHFFFAOYSA-N -1 0 385.467 0.932 50 0 GCAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)NCCC(=O)[O-])ccc12 ZINC000012899982 570287612 /nfs/dbraw/zinc/28/76/12/570287612.db2.gz BBGJYUQTRNICGI-NSHDSACASA-N -1 0 376.365 0.576 50 0 biogenic GCAARM CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000032947225 570324189 /nfs/dbraw/zinc/32/41/89/570324189.db2.gz IGTZQYQXWNGGSC-UHFFFAOYSA-N -1 0 390.440 0.324 50 0 GCAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OCC(=O)OC)c2)cn1C ZINC000024957227 570399769 /nfs/dbraw/zinc/39/97/69/570399769.db2.gz SMEYVVURAVNKPB-UHFFFAOYSA-N -1 0 381.410 0.737 50 0 GCAARM CC(C)[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004899500 570416426 /nfs/dbraw/zinc/41/64/26/570416426.db2.gz FVGOGEGGQLNZGH-DZKIICNBSA-N -1 0 393.440 0.131 50 0 GCAARM COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-] ZINC000003831070 570453862 /nfs/dbraw/zinc/45/38/62/570453862.db2.gz RJQXTJLFIWVMTO-TYNCELHUSA-N -1 0 380.422 0.949 50 0 biogenic,world GCAARM C[C@@H]1Cn2c3c(nc2N(Cc2ccccc2)C1)n(C)c(=O)n(CC(=O)[O-])c3=O ZINC000005251905 570528969 /nfs/dbraw/zinc/52/89/69/570528969.db2.gz MZWVNJHSSTTZFF-LBPRGKRZSA-N -1 0 383.408 0.638 50 0 GCAARM C[C@H]1Cn2c(nc3c2c(=O)n(CC(=O)[O-])c(=O)n3C)N(c2ccc(F)cc2)C1 ZINC000005251902 570528998 /nfs/dbraw/zinc/52/89/98/570528998.db2.gz VMXZCSNAMJKNOC-SNVBAGLBSA-N -1 0 387.371 0.908 50 0 GCAARM COc1cccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)c1 ZINC000005251893 570529038 /nfs/dbraw/zinc/52/90/38/570529038.db2.gz MWPPTJCUNOBOJT-UHFFFAOYSA-N -1 0 385.380 0.532 50 0 GCAARM CC(=O)c1ccc(NC(=O)CSc2nc(CCC(=O)[O-])n(N)c(=O)n2)cc1 ZINC000027643345 570542666 /nfs/dbraw/zinc/54/26/66/570542666.db2.gz JKRMTHJSAVGAHU-UHFFFAOYSA-N -1 0 391.409 0.303 50 0 GCAARM O=C([O-])/C=C/C(=O)N(CCS(=O)(=O)N1CCCCC1)Cc1ccncc1 ZINC000009060719 570547371 /nfs/dbraw/zinc/54/73/71/570547371.db2.gz AIUPTZISCASUBW-SNAWJCMRSA-N -1 0 381.454 0.867 50 0 GCAARM O=C([O-])[C@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000225486631 570578900 /nfs/dbraw/zinc/57/89/00/570578900.db2.gz NKJLOMHSOXEHKC-CQSZACIVSA-N -1 0 383.426 0.788 50 0 GCAARM Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000262502857 570675905 /nfs/dbraw/zinc/67/59/05/570675905.db2.gz NVKGZPJPNIXXSM-NSHDSACASA-N -1 0 392.437 0.755 50 0 GCAARM COc1ccc(CN2C[C@@H](C(=O)N3CCO[C@@H](CC(=O)[O-])C3)CC2=O)cc1 ZINC000262879321 570699345 /nfs/dbraw/zinc/69/93/45/570699345.db2.gz YSEWPZLRMKNEMO-HOCLYGCPSA-N -1 0 376.409 0.746 50 0 GCAARM Cc1c(C)[n+]([O-])c([C@@H](c2c([O-])[nH]c(=O)[nH]c2=O)[C@H]2CC=CCC2)n1CCO ZINC000524734546 570771956 /nfs/dbraw/zinc/77/19/56/570771956.db2.gz PTQODJUXHYLWLY-QWHCGFSZSA-N -1 0 376.413 0.153 50 0 GCAARM CCC(=O)Nc1ccc(N2CCN(CC(=O)NCCOC)CC2)c(C(=O)[O-])c1 ZINC000033078782 570805452 /nfs/dbraw/zinc/80/54/52/570805452.db2.gz BVFVBRAGYWGBSL-UHFFFAOYSA-N -1 0 392.456 0.618 50 0 GCAARM CC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000101455884 570823466 /nfs/dbraw/zinc/82/34/66/570823466.db2.gz HSNPWWLNEXSTKM-GFCCVEGCSA-N -1 0 386.364 0.216 50 0 GCAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@@H]1c1ccc2c(c1)OCO2 ZINC000101766213 570831404 /nfs/dbraw/zinc/83/14/04/570831404.db2.gz XIOAAZFGBUMPOH-LLVKDONJSA-N -1 0 386.364 0.596 50 0 GCAARM COC(=O)c1cnc(S(=O)(=O)[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)[n-]1 ZINC000170618499 570875444 /nfs/dbraw/zinc/87/54/44/570875444.db2.gz PCONFGGUOXVPJQ-PWSUYJOCSA-N -1 0 393.421 0.999 50 0 GCAARM CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004025663 570903951 /nfs/dbraw/zinc/90/39/51/570903951.db2.gz CZUIZHWORLDXSN-ZFWWWQNUSA-N -1 0 379.413 0.772 50 0 biogenic GCAARM CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000017127861 570919508 /nfs/dbraw/zinc/91/95/08/570919508.db2.gz LSGQBKXSCAVGDH-XBFCOCLRSA-N -1 0 384.454 0.985 50 0 GCAARM Cc1c(OCC(=O)NCC(=O)NCC(=O)[O-])ccc2c3c(c(=O)oc12)CCC3 ZINC000002146715 570971597 /nfs/dbraw/zinc/97/15/97/570971597.db2.gz FIJNQUIZCRZBQP-UHFFFAOYSA-N -1 0 388.376 0.286 50 0 biogenic GCAARM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCC1 ZINC000033330768 570986543 /nfs/dbraw/zinc/98/65/43/570986543.db2.gz RXCRRLUKJOMHOJ-UHFFFAOYSA-N -1 0 378.410 0.408 50 0 GCAARM COc1ccc(CN2CCN(CCC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000091894860 571035207 /nfs/dbraw/zinc/03/52/07/571035207.db2.gz VMECZSNPMUABOS-SJORKVTESA-N -1 0 382.482 0.762 50 0 GCAARM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)cc1O ZINC000091997948 571039622 /nfs/dbraw/zinc/03/96/22/571039622.db2.gz WJJXMORGRICXCR-KGLIPLIRSA-N -1 0 382.438 0.099 50 0 GCAARM CCCn1nccc1S(=O)(=O)N1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C ZINC000095378932 571066177 /nfs/dbraw/zinc/06/61/77/571066177.db2.gz YBFHSRVKFZURSX-GFCCVEGCSA-N -1 0 384.458 0.379 50 0 GCAARM Cc1nn2c([n-]1)nc(CN1CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]31)cc2=O ZINC000095515458 571084065 /nfs/dbraw/zinc/08/40/65/571084065.db2.gz YLVIVSSDBBABHG-CABCVRRESA-N -1 0 394.501 0.078 50 0 GCAARM Cn1c2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2n(C)c1=O ZINC000041091409 597143555 /nfs/dbraw/zinc/14/35/55/597143555.db2.gz ZQKFSQSRXKUFDB-AWEZNQCLSA-N -1 0 389.433 0.851 50 0 GCAARM Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)ccc12 ZINC000015955972 1189493085 /nfs/dbraw/zinc/49/30/85/1189493085.db2.gz STPHZLVZJPSQCI-GOSISDBHSA-N -1 0 390.392 0.822 50 0 GCAARM COc1ccc(C(=O)N2CCN(c3nc4nc(C)cc(=O)n4[n-]3)CC2)cc1F ZINC000390826943 1199855740 /nfs/dbraw/zinc/85/57/40/1199855740.db2.gz CWGFZFKWZBVUCO-UHFFFAOYSA-N -1 0 386.387 0.836 50 0 GCAARM CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2C)CC1 ZINC000095940680 1199888856 /nfs/dbraw/zinc/88/88/56/1199888856.db2.gz IKCHGTGUSMFBOO-UHFFFAOYSA-N -1 0 397.497 0.868 50 0 GCAARM N=c1nn[n-]n1CC(=O)N1CCC[C@@H](CNC(=O)Cn2ccc3ccccc32)C1 ZINC000827860975 1201710159 /nfs/dbraw/zinc/71/01/59/1201710159.db2.gz VJHLBOOBEVNUAI-AWEZNQCLSA-N -1 0 396.455 0.095 50 0 GCAARM O=C([O-])C1(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCC1 ZINC000580775576 1201866907 /nfs/dbraw/zinc/86/69/07/1201866907.db2.gz BTNAQBRZDDJKQR-UHFFFAOYSA-N -1 0 396.465 0.720 50 0 GCAARM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)CCO1 ZINC000681943185 1201944103 /nfs/dbraw/zinc/94/41/03/1201944103.db2.gz UJLNIQXIASBMPN-MRXNPFEDSA-N -1 0 376.409 0.325 50 0 GCAARM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000643432615 953907594 /nfs/dbraw/zinc/90/75/94/953907594.db2.gz WAVBLBFUUKCOPO-CQSZACIVSA-N -1 0 381.454 0.786 50 0 GCAARM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 ZINC000663073255 954447703 /nfs/dbraw/zinc/44/77/03/954447703.db2.gz PLXCVKSESZQQDQ-KUHUBIRLSA-N -1 0 378.425 0.923 50 0 GCAARM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 ZINC000663073254 954447932 /nfs/dbraw/zinc/44/79/32/954447932.db2.gz PLXCVKSESZQQDQ-IFXJQAMLSA-N -1 0 378.425 0.923 50 0 GCAARM NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000269200660 530170464 /nfs/dbraw/zinc/17/04/64/530170464.db2.gz REFZYWCBVRQMIN-ZETCQYMHSA-N -1 0 377.216 0.643 50 0 GCAARM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC(=O)[O-])cc21 ZINC000045795870 530184065 /nfs/dbraw/zinc/18/40/65/530184065.db2.gz FQZAQUKLXZUMJQ-UHFFFAOYSA-N -1 0 377.216 0.721 50 0 GCAARM COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3cccc(Br)c3)c(=O)c1-2 ZINC000100170998 530245666 /nfs/dbraw/zinc/24/56/66/530245666.db2.gz OREDNIMQUOTMOS-PWSUYJOCSA-N -1 0 394.181 0.698 50 0 GCAARM NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000013269890 530362601 /nfs/dbraw/zinc/36/26/01/530362601.db2.gz QXTWJCNYPXTFRN-JTQLQIEISA-N -1 0 377.216 0.786 50 0 GCAARM CS(=O)(=O)N1CCN(C(=O)Cc2csc([N-]c3ncccn3)n2)CC1 ZINC000049029417 530462678 /nfs/dbraw/zinc/46/26/78/530462678.db2.gz ROKRBRFVLFAOCM-UHFFFAOYSA-N -1 0 382.471 0.323 50 0 GCAARM C[C@H](O)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)[O-] ZINC000012761748 530570541 /nfs/dbraw/zinc/57/05/41/530570541.db2.gz BPPIBGNYRRHLDE-ZANVPECISA-N -1 0 390.845 0.688 50 0 GCAARM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nncn2-c2cccnc2)cc1 ZINC000570316565 530636954 /nfs/dbraw/zinc/63/69/54/530636954.db2.gz UEXBUYPCJXQNNY-UHFFFAOYSA-N -1 0 380.411 0.111 50 0 GCAARM COC(=O)c1c(C)n(S(C)(=O)=O)c2cc(OC)c([N-]S(C)(=O)=O)cc21 ZINC000006142929 530669893 /nfs/dbraw/zinc/66/98/93/530669893.db2.gz VIGNJOCIXKMMRV-UHFFFAOYSA-N -1 0 390.439 0.924 50 0 GCAARM CNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000656732909 530853702 /nfs/dbraw/zinc/85/37/02/530853702.db2.gz YMLQGVSOPVHYCN-DGCLKSJQSA-N -1 0 378.472 0.388 50 0 GCAARM CN(C)S(=O)(=O)c1ccc(C(=O)NCCC(=O)[O-])cc1Br ZINC000262210063 530931472 /nfs/dbraw/zinc/93/14/72/530931472.db2.gz JPGHTTCJQUWIQD-UHFFFAOYSA-N -1 0 379.232 0.904 50 0 GCAARM CC(C)C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)[O-] ZINC000261676039 530925017 /nfs/dbraw/zinc/92/50/17/530925017.db2.gz KYFGVHIQMQNXRN-AWEZNQCLSA-N -1 0 390.483 0.905 50 0 GCAARM O=C([O-])[C@H]1COCCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000299749459 530928308 /nfs/dbraw/zinc/92/83/08/530928308.db2.gz KJUGHERLFGVJCP-LLVKDONJSA-N -1 0 399.197 0.487 50 0 GCAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCc2csc(-c3cnccn3)n2)C1 ZINC000670454177 530940472 /nfs/dbraw/zinc/94/04/72/530940472.db2.gz NVIFGGBFRSXEJT-JTQLQIEISA-N -1 0 383.455 0.731 50 0 GCAARM CCOC(=O)N1CCN(C(=O)Cc2csc([N-]S(C)(=O)=O)n2)CC1 ZINC000009421046 530988079 /nfs/dbraw/zinc/98/80/79/530988079.db2.gz FSITTYBAIYNDIC-UHFFFAOYSA-N -1 0 376.460 0.358 50 0 GCAARM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N2CCCC2=O)s1 ZINC000252506017 530988146 /nfs/dbraw/zinc/98/81/46/530988146.db2.gz VWHFOCKTXDGZPM-LBPRGKRZSA-N -1 0 388.471 0.553 50 0 GCAARM O=S(=O)([N-]c1ccccn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000097165302 531080741 /nfs/dbraw/zinc/08/07/41/531080741.db2.gz JJNXSRNUXNKLPS-UHFFFAOYSA-N -1 0 383.451 0.903 50 0 GCAARM C[C@H](O)[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)[O-] ZINC000012761738 210002892 /nfs/dbraw/zinc/00/28/92/210002892.db2.gz BPPIBGNYRRHLDE-TVQRCGJNSA-N -1 0 390.845 0.688 50 0 GCAARM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000006746590 209678433 /nfs/dbraw/zinc/67/84/33/209678433.db2.gz PKMUDEYOXCJZAU-UHFFFAOYSA-N -1 0 376.456 0.422 50 0 GCAARM C[C@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)NCC(=O)[O-] ZINC000004543693 209493509 /nfs/dbraw/zinc/49/35/09/209493509.db2.gz IKCPKYTWSUFCRD-NSHDSACASA-N -1 0 379.438 0.773 50 0 GCAARM Cn1c2nc(SCC(=O)[O-])n(CCOc3ccccc3)c2c(=O)[nH]c1=O ZINC000001238776 209317767 /nfs/dbraw/zinc/31/77/67/209317767.db2.gz CJUMTZFREHXBSE-UHFFFAOYSA-N -1 0 376.394 0.679 50 0 GCAARM COC(=O)c1cn([C@@H](Cc2ccccc2)c2n[nH]c(=O)[n-]2)cc2c(=O)[nH]nc1-2 ZINC000263587924 209224537 /nfs/dbraw/zinc/22/45/37/209224537.db2.gz MWOPVPRZKHPNNA-ZDUSSCGKSA-N -1 0 380.364 0.706 50 0 GCAARM O=c1[nH]c2ncccc2c(=O)n1CC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000253537686 209220472 /nfs/dbraw/zinc/22/04/72/209220472.db2.gz IOECWBSBYBRLIS-UHFFFAOYSA-N -1 0 382.348 0.754 50 0 GCAARM CC(C)Cc1ccc([C@H](C)C(=O)O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000005760164 204150277 /nfs/dbraw/zinc/15/02/77/204150277.db2.gz ABOLXXZAJIAUGR-LEBSGKMFSA-N -1 0 382.409 0.424 50 0 endogenous,world GCAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(N)=O)cc(C(N)=O)c2)c1 ZINC000006267694 204172893 /nfs/dbraw/zinc/17/28/93/204172893.db2.gz FUVKZIWQCYOBAD-UHFFFAOYSA-N -1 0 379.394 0.702 50 0 GCAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2SC1 ZINC000006318091 204174133 /nfs/dbraw/zinc/17/41/33/204174133.db2.gz PQIJLDPZHHQMJA-BLLLJJGKSA-N -1 0 394.380 0.741 50 0 GCAARM COc1ccc(OC)c2[nH]c(C(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])cc21 ZINC000008764305 204288813 /nfs/dbraw/zinc/28/88/13/204288813.db2.gz UPZJJOCQKSTUDK-JTQLQIEISA-N -1 0 378.385 0.817 50 0 biogenic GCAARM Nc1[nH]c(=O)[nH]c(=O)c1-c1c(-c2ccc(Cl)s2)nc2[nH]c(=O)[nH]c([O-])c1-2 ZINC000009531661 204315326 /nfs/dbraw/zinc/31/53/26/204315326.db2.gz VXNIJZXITPQOFW-UHFFFAOYSA-N -1 0 392.784 0.552 50 0 GCAARM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000299742139 205097983 /nfs/dbraw/zinc/09/79/83/205097983.db2.gz HCXCGBVJNAEADF-BLLLJJGKSA-N -1 0 393.465 0.951 50 0 GCAARM Cc1cccc(OCCc2nnc(NC(=O)Cn3[n-]c(=O)ccc3=O)s2)c1 ZINC000055414168 205149335 /nfs/dbraw/zinc/14/93/35/205149335.db2.gz HAYGHWWJRFMBMO-UHFFFAOYSA-N -1 0 387.421 0.957 50 0 GCAARM COc1ccc2cnn(CC(=O)N[C@@H](CCSC)C(=O)[O-])c(=O)c2c1OC ZINC000061718785 205182802 /nfs/dbraw/zinc/18/28/02/205182802.db2.gz YRUBKWJPSIDKAM-NSHDSACASA-N -1 0 395.437 0.736 50 0 GCAARM Cn1c(C(=O)[O-])ccc1S(=O)(=O)N1CCC2(C[C@@H](C(=O)[O-])[N@H+](C)C2)CC1 ZINC000072165102 205315912 /nfs/dbraw/zinc/31/59/12/205315912.db2.gz 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211933200 /nfs/dbraw/zinc/93/32/00/211933200.db2.gz RUROHNNKJPYUOF-SECBINFHSA-N -1 0 398.890 0.678 50 0 GCAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1 ZINC000299742099 205097874 /nfs/dbraw/zinc/09/78/74/205097874.db2.gz GVRWKPQWQXDMKL-KRWDZBQOSA-N -1 0 378.406 0.930 50 0 GCAARM CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299753468 205106503 /nfs/dbraw/zinc/10/65/03/205106503.db2.gz YHZWQGIOUUOYNH-CVEARBPZSA-N -1 0 377.372 0.666 50 0 GCAARM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000299748678 205100884 /nfs/dbraw/zinc/10/08/84/205100884.db2.gz HVIZOQRUSGNFAS-HNNXBMFYSA-N -1 0 384.454 0.623 50 0 GCAARM O=C([O-])c1nccnc1C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000071285119 205279897 /nfs/dbraw/zinc/27/98/97/205279897.db2.gz XCMDDKXGIQGORU-UHFFFAOYSA-N -1 0 387.371 0.710 50 0 GCAARM CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)[O-] ZINC000015956013 211712272 /nfs/dbraw/zinc/71/22/72/211712272.db2.gz 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COCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000097096747 211357554 /nfs/dbraw/zinc/35/75/54/211357554.db2.gz URNXGHOOCOFBMX-UHFFFAOYSA-N -1 0 377.469 0.869 50 0 GCAARM O=C(Cc1cc(=O)[nH][n-]c1=O)N1CCC[C@@H](CNC(=O)c2cccs2)C1 ZINC000095505792 211257239 /nfs/dbraw/zinc/25/72/39/211257239.db2.gz YNBHYDLFWJLFEI-NSHDSACASA-N -1 0 376.438 0.748 50 0 GCAARM O=C([O-])CCN1CCN(C(=O)c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091860712 211207886 /nfs/dbraw/zinc/20/78/86/211207886.db2.gz QEKHKHPHAVADDH-KGLIPLIRSA-N -1 0 386.857 0.738 50 0 GCAARM Cc1ccc(CNC(=O)N2CCN(CC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000077520479 211136268 /nfs/dbraw/zinc/13/62/68/211136268.db2.gz YOIGLHRLDXUSHO-CABCVRRESA-N -1 0 381.454 0.072 50 0 GCAARM CC[C@H](C(=O)N1CCc2c(c(C(=O)[O-])nn2CC2CC2)C1)N1CCOCC1 ZINC000067894637 211029766 /nfs/dbraw/zinc/02/97/66/211029766.db2.gz FHHLKIONQODAAY-OAHLLOKOSA-N -1 0 376.457 0.987 50 0 GCAARM Cc1c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cnn1-c1ccc(=O)[nH]n1 ZINC000299749191 210831316 /nfs/dbraw/zinc/83/13/16/210831316.db2.gz JJXQJLQJHHKAHY-HNNXBMFYSA-N -1 0 379.376 0.916 50 0 GCAARM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)C1 ZINC000408513202 533414427 /nfs/dbraw/zinc/41/44/27/533414427.db2.gz GZZOWAHQDCLBDS-LLVKDONJSA-N -1 0 378.410 0.334 50 0 GCAARM COCC(=O)Nc1ccc(N2CCN(CC(=O)NC(C)C)CC2)cc1C(=O)[O-] ZINC000064589864 136157101 /nfs/dbraw/zinc/15/71/01/136157101.db2.gz GVIVFJVWNKKVNT-UHFFFAOYSA-N -1 0 392.456 0.616 50 0 GCAARM CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCCCc1nnn[n-]1)CO2 ZINC000071761137 136166244 /nfs/dbraw/zinc/16/62/44/136166244.db2.gz HVBNOGPEYNAMNI-ZDUSSCGKSA-N -1 0 387.444 0.238 50 0 GCAARM COCC(=O)N1CC[C@]2(O)CCN(c3ccc(Cl)c(C(=O)[O-])n3)C[C@@H]2C1 ZINC000095365854 136178368 /nfs/dbraw/zinc/17/83/68/136178368.db2.gz BAYOVNCBTNUJJR-PIGZYNQJSA-N -1 0 383.832 0.869 50 0 GCAARM C[C@H]1CN(c2ccc(NC(=O)c3c([O-])[nH]c(=O)[nH]c3=O)cc2F)C[C@H](C)O1 ZINC000100687412 136189103 /nfs/dbraw/zinc/18/91/03/136189103.db2.gz CGIFBOXNUWLNBX-IUCAKERBSA-N -1 0 378.360 0.360 50 0 GCAARM Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000269032866 526437317 /nfs/dbraw/zinc/43/73/17/526437317.db2.gz NGUGDATUORSGCO-GJZGRUSLSA-N -1 0 377.376 0.607 50 0 GCAARM Cn1c(SCC(=O)c2ccc([O-])cc2F)nc2c1c(=O)n(C)c(=O)n2C ZINC000000643819 570213960 /nfs/dbraw/zinc/21/39/60/570213960.db2.gz GGXJFGLOUWQMSX-UHFFFAOYSA-N -1 0 378.385 0.790 50 0 GCAARM O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])N1CCc2[nH]cnc2C1 ZINC000096148582 570214373 /nfs/dbraw/zinc/21/43/73/570214373.db2.gz KAXARVCXOMUVLT-UHFFFAOYSA-N -1 0 392.437 0.335 50 0 GCAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)CCCn1cnc2ccccc2c1=O ZINC000096162628 570217080 /nfs/dbraw/zinc/21/70/80/570217080.db2.gz SJQHFDVSPKMKQJ-MRXNPFEDSA-N -1 0 381.392 0.938 50 0 GCAARM CCS(=O)(=O)N1C[C@@H]2CN(Cc3nc4ccccc4[nH]3)C[C@]2(C(=O)[O-])C1 ZINC000096166657 570218394 /nfs/dbraw/zinc/21/83/94/570218394.db2.gz JZOOSQSNYFTUCR-SJCJKPOMSA-N -1 0 378.454 0.731 50 0 GCAARM COCCNC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NC(C)=O)CC1 ZINC000032947221 570324290 /nfs/dbraw/zinc/32/42/90/570324290.db2.gz RYGCLQLJFYVJCY-UHFFFAOYSA-N -1 0 378.429 0.228 50 0 GCAARM COc1ccc(NS(=O)(=O)c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)cn1 ZINC000023143861 570346579 /nfs/dbraw/zinc/34/65/79/570346579.db2.gz GRXMLGKIWIEHIN-UHFFFAOYSA-N -1 0 393.377 0.701 50 0 GCAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC000003830507 570350987 /nfs/dbraw/zinc/35/09/87/570350987.db2.gz XIURVHNZVLADCM-IUODEOHRSA-N -1 0 396.446 0.592 50 0 metabolite,world GCAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2SC1 ZINC000006318110 570377198 /nfs/dbraw/zinc/37/71/98/570377198.db2.gz PQIJLDPZHHQMJA-LRDDRELGSA-N -1 0 394.380 0.741 50 0 GCAARM CN1N=C(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C(=O)[O-])cc2)CCC1=O ZINC000222950998 570432880 /nfs/dbraw/zinc/43/28/80/570432880.db2.gz XHMRHNIRTPXPDD-HUUCEWRRSA-N -1 0 375.381 0.646 50 0 GCAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000089512365 570462928 /nfs/dbraw/zinc/46/29/28/570462928.db2.gz MSRRCXCRPOOTTR-CYBMUJFWSA-N -1 0 391.453 0.286 50 0 GCAARM Cn1c2nc3n(c2c(=O)n(CC(=O)[O-])c1=O)CCN3c1cccc(Cl)c1 ZINC000005251949 570528887 /nfs/dbraw/zinc/52/88/87/570528887.db2.gz WJJLBHIRNHLKIZ-UHFFFAOYSA-N -1 0 375.772 0.786 50 0 GCAARM CCOc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1 ZINC000005251894 570529167 /nfs/dbraw/zinc/52/91/67/570529167.db2.gz JIRQHTFTBOWDIN-UHFFFAOYSA-N -1 0 399.407 0.922 50 0 GCAARM O=C([O-])CCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009135071 570550435 /nfs/dbraw/zinc/55/04/35/570550435.db2.gz WWFSMTSWHDOBCU-UHFFFAOYSA-N -1 0 398.466 0.683 50 0 GCAARM CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCCC(=O)[O-] ZINC000005324578 570553821 /nfs/dbraw/zinc/55/38/21/570553821.db2.gz LZPOFFYLPFLYEH-SJCJKPOMSA-N -1 0 393.415 0.910 50 0 GCAARM Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262441420 570673908 /nfs/dbraw/zinc/67/39/08/570673908.db2.gz NIVFXVKUXZDEOB-LSDHHAIUSA-N -1 0 377.376 0.607 50 0 GCAARM COc1ccc(CN2C[C@H](C(=O)N3CCO[C@@H](CC(=O)[O-])C3)CC2=O)cc1 ZINC000262879322 570699331 /nfs/dbraw/zinc/69/93/31/570699331.db2.gz YSEWPZLRMKNEMO-ZBFHGGJFSA-N -1 0 376.409 0.746 50 0 GCAARM Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCC[C@H]3C(=O)[O-])CC2)c1 ZINC000262927998 570700229 /nfs/dbraw/zinc/70/02/29/570700229.db2.gz WYQIDKWHDCOXAO-INIZCTEOSA-N -1 0 395.481 0.522 50 0 GCAARM Cc1ccccc1Cn1cc(C(=O)[O-])c(S(=O)(=O)N2CCN(C)CC2)n1 ZINC000065240434 570744697 /nfs/dbraw/zinc/74/46/97/570744697.db2.gz HNUGWPNUGRXXFZ-UHFFFAOYSA-N -1 0 378.454 0.874 50 0 GCAARM COC(=O)c1cn([C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])cc2c(=O)[nH]nc1-2 ZINC000524730742 570765244 /nfs/dbraw/zinc/76/52/44/570765244.db2.gz VUMLHMHDBDRPRN-GBIKHYSHSA-N -1 0 392.393 0.563 50 0 biogenic GCAARM CC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@H]1c1ccc2c(c1)OCO2 ZINC000101455883 570823700 /nfs/dbraw/zinc/82/37/00/570823700.db2.gz HSNPWWLNEXSTKM-LBPRGKRZSA-N -1 0 386.364 0.216 50 0 GCAARM C[C@@H](O)[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)[O-] ZINC000014169186 570826320 /nfs/dbraw/zinc/82/63/20/570826320.db2.gz DWGSIERYPHGXHY-DOMZBBRYSA-N -1 0 384.454 0.815 50 0 GCAARM C[C@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)c1nc(N)nc(N(C)C)n1 ZINC000012541844 570842463 /nfs/dbraw/zinc/84/24/63/570842463.db2.gz AIUUEWJQORLUTG-VIFPVBQESA-N -1 0 380.430 0.809 50 0 GCAARM O=C([O-])c1ccc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cn1 ZINC000299747371 570904498 /nfs/dbraw/zinc/90/44/98/570904498.db2.gz CWJOHJCBAWIUPX-UHFFFAOYSA-N -1 0 379.380 0.718 50 0 GCAARM COC(=O)c1cn([C@H](Cc2ccccc2)c2n[nH]c(=O)[n-]2)cc2c(=O)[nH]nc1-2 ZINC000263587923 570932190 /nfs/dbraw/zinc/93/21/90/570932190.db2.gz MWOPVPRZKHPNNA-CYBMUJFWSA-N -1 0 380.364 0.706 50 0 GCAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000002111643 570950840 /nfs/dbraw/zinc/95/08/40/570950840.db2.gz ARWOYNMARWJMCQ-KRWDZBQOSA-N -1 0 390.392 0.691 50 0 biogenic GCAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O ZINC000033330782 570986383 /nfs/dbraw/zinc/98/63/83/570986383.db2.gz VHTXFXXQWCIUMR-VIFPVBQESA-N -1 0 380.426 0.701 50 0 GCAARM O=C([O-])CN(C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C1CCOCC1 ZINC000486043254 600959606 /nfs/dbraw/zinc/95/96/06/600959606.db2.gz WUQWSZWXPQBDNA-UHFFFAOYSA-N -1 0 375.381 0.584 50 0 GCAARM CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000888096667 638647247 /nfs/dbraw/zinc/64/72/47/638647247.db2.gz HASDPIYACOWCFF-UHFFFAOYSA-N -1 0 389.455 0.115 50 0 GCAARM CO[C@H](CS(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1OCCO)C1CC1 ZINC000888096675 638647393 /nfs/dbraw/zinc/64/73/93/638647393.db2.gz HKTGGDBXOQXIKT-OAHLLOKOSA-N -1 0 393.483 0.628 50 0 GCAARM COCC(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3cncc(O)c3)CC2)[C@H]1O ZINC001772704493 1187641003 /nfs/dbraw/zinc/64/10/03/1187641003.db2.gz NIFAQNLQXQGNOT-ZWKOTPCHSA-N -1 0 393.440 0.065 50 0 GCAARM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)[C@@H]2CCc3ccccc32)CCO1 ZINC000262953136 1197539218 /nfs/dbraw/zinc/53/92/18/1197539218.db2.gz OYYOLIJKBLYAIL-GDBMZVCRSA-N -1 0 396.465 0.290 50 0 GCAARM O=C(CN1[N-]S(=O)(=O)c2ccccc2C1=O)NCc1ccc2c(c1)OCO2 ZINC000009544349 1200386156 /nfs/dbraw/zinc/38/61/56/1200386156.db2.gz FZDDGDHIIAGEST-UHFFFAOYSA-N -1 0 389.389 0.381 50 0 GCAARM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)CCO1 ZINC000572410058 1201707494 /nfs/dbraw/zinc/70/74/94/1201707494.db2.gz MGXZHKXSRTUWCW-GFCCVEGCSA-N -1 0 398.428 0.386 50 0 GCAARM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)CCO1 ZINC000681942805 1201943714 /nfs/dbraw/zinc/94/37/14/1201943714.db2.gz QOQHQDXALIIHCI-INIZCTEOSA-N -1 0 391.424 0.163 50 0 GCAARM Cc1cc(C)n(-c2ccc(C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)[O-])cc2)n1 ZINC000643431136 953904407 /nfs/dbraw/zinc/90/44/07/953904407.db2.gz XOYYNSIUCICGLB-OAHLLOKOSA-N -1 0 377.422 0.813 50 0 GCAARM Cc1cc(C)n(-c2ccc(C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])cc2)n1 ZINC000643431135 953904656 /nfs/dbraw/zinc/90/46/56/953904656.db2.gz XOYYNSIUCICGLB-HNNXBMFYSA-N -1 0 377.422 0.813 50 0 GCAARM O=C([O-])[C@@H](Cc1ccncc1)NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000653496357 954179825 /nfs/dbraw/zinc/17/98/25/954179825.db2.gz OMKFCWBJNDAJHG-OAHLLOKOSA-N -1 0 381.454 0.398 50 0 GCAARM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 ZINC000663073256 954448022 /nfs/dbraw/zinc/44/80/22/954448022.db2.gz PLXCVKSESZQQDQ-LIRRHRJNSA-N -1 0 378.425 0.923 50 0 GCAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)CCO1 ZINC000566662683 974618732 /nfs/dbraw/zinc/61/87/32/974618732.db2.gz BCIVLXIPXDOPBO-NHYWBVRUSA-N -1 0 389.401 0.715 50 0 GCAARM COCC(=O)N1C[C@@H]2CN(C(=O)C3=Cc4ccccc4OC=C3)C[C@]2(C(=O)[O-])C1 ZINC000426438918 231222075 /nfs/dbraw/zinc/22/20/75/231222075.db2.gz RNOIMYLURQYBHK-IIBYNOLFSA-N -1 0 398.415 0.994 50 0 GCAARM Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H]1COCC[C@@H]1OCC(=O)[O-] ZINC000223738765 222642385 /nfs/dbraw/zinc/64/23/85/222642385.db2.gz GTMCMOIFGYCLML-OLZOCXBDSA-N -1 0 375.447 0.618 50 0 GCAARM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000261606168 530128173 /nfs/dbraw/zinc/12/81/73/530128173.db2.gz DNAICXUFHDGPGE-JTQLQIEISA-N -1 0 377.440 0.584 50 0 GCAARM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1F ZINC000097166179 530219665 /nfs/dbraw/zinc/21/96/65/530219665.db2.gz HIISOYGGDASYAW-UHFFFAOYSA-N -1 0 380.423 0.196 50 0 GCAARM COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000005219048 530302514 /nfs/dbraw/zinc/30/25/14/530302514.db2.gz NBJKIYUNCQGKTF-PWSUYJOCSA-N -1 0 394.181 0.698 50 0 GCAARM Cn1c([O-])c(C2=NN[C@H](c3ccc(Br)cc3)C2)c(=O)n(C)c1=O ZINC000101761657 530362149 /nfs/dbraw/zinc/36/21/49/530362149.db2.gz ZCSYORJBMBAVNV-JTQLQIEISA-N -1 0 379.214 0.991 50 0 GCAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccc(Br)cc1 ZINC000652053070 530393052 /nfs/dbraw/zinc/39/30/52/530393052.db2.gz QFIPZOIHIHJJQW-GHMZBOCLSA-N -1 0 391.243 0.773 50 0 GCAARM CCNS(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000170617525 530642635 /nfs/dbraw/zinc/64/26/35/530642635.db2.gz HDVXWRKNXZCOOT-VIFPVBQESA-N -1 0 381.451 0.342 50 0 GCAARM CC(C)C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)[O-] ZINC000261676046 530924522 /nfs/dbraw/zinc/92/45/22/530924522.db2.gz KYFGVHIQMQNXRN-CQSZACIVSA-N -1 0 390.483 0.905 50 0 GCAARM O=C([O-])CN1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000238159945 530966000 /nfs/dbraw/zinc/96/60/00/530966000.db2.gz GRMWPFRHKAXNSY-UHFFFAOYSA-N -1 0 391.287 0.925 50 0 GCAARM COc1ccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)[O-])cc1Cl ZINC000012443269 209956543 /nfs/dbraw/zinc/95/65/43/209956543.db2.gz GSTYWKRQEGEFTO-UHFFFAOYSA-N -1 0 393.787 0.924 50 0 GCAARM Cc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)[n-]c1=O ZINC000009440952 209829184 /nfs/dbraw/zinc/82/91/84/209829184.db2.gz PNDZSXHXDSZWRE-UHFFFAOYSA-N -1 0 383.455 0.454 50 0 GCAARM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cc(C(F)(F)F)nn3C)[C@H]2SC1 ZINC000002784991 209385213 /nfs/dbraw/zinc/38/52/13/209385213.db2.gz DKRCWUMYQNGXNB-QPUJVOFHSA-N -1 0 390.343 0.811 50 0 GCAARM CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000009042992 209248343 /nfs/dbraw/zinc/24/83/43/209248343.db2.gz LILPFLYCSVCBQC-LKTVYLICSA-N -1 0 392.412 0.779 50 0 biogenic GCAARM Cn1c(=O)cc([O-])nc1SCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000009033736 209246740 /nfs/dbraw/zinc/24/67/40/209246740.db2.gz RXNGTNAXCVPHHW-NWDGAFQWSA-N -1 0 388.449 0.386 50 0 biogenic GCAARM COc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1 ZINC000004370746 204042296 /nfs/dbraw/zinc/04/22/96/204042296.db2.gz WTIOQVIOTUFBJC-UHFFFAOYSA-N -1 0 385.380 0.532 50 0 GCAARM O=C([O-])c1cnc2ccc(S(=O)(=O)N[C@H]3CCCCNC3=O)cc2c1O ZINC000004659663 204060952 /nfs/dbraw/zinc/06/09/52/204060952.db2.gz CCHGMCFBWPNABS-ZDUSSCGKSA-N -1 0 379.394 0.173 50 0 GCAARM COc1cc2nc(O)c(C(=O)NCCCN3CCOCC3)c([O-])c2cc1OC ZINC000005884903 204156115 /nfs/dbraw/zinc/15/61/15/204156115.db2.gz ZIHWZDVTQODPSS-UHFFFAOYSA-N -1 0 391.424 0.703 50 0 GCAARM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1OC ZINC000006456757 204178668 /nfs/dbraw/zinc/17/86/68/204178668.db2.gz BJWYUAULSFKBSF-PLNGDYQASA-N -1 0 398.437 0.654 50 0 GCAARM CCN1CCN(S(=O)(=O)c2cn(CC(=O)[O-])c(=O)c3ccccc32)CC1 ZINC000006438654 204178684 /nfs/dbraw/zinc/17/86/84/204178684.db2.gz FALHOPYLMPUVHI-UHFFFAOYSA-N -1 0 379.438 0.412 50 0 GCAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000008618179 204282621 /nfs/dbraw/zinc/28/26/21/204282621.db2.gz FBCCBBUCFSPFJY-UHFFFAOYSA-N -1 0 376.437 0.983 50 0 GCAARM CS(=O)(=O)c1ccc2nc(NC(=O)Cn3[n-]c(=O)ccc3=O)sc2c1 ZINC000009464060 204312616 /nfs/dbraw/zinc/31/26/16/204312616.db2.gz NPVOAJDTLVDLSL-UHFFFAOYSA-N -1 0 380.407 0.189 50 0 GCAARM CCOc1ccccc1NC(=O)CSc1nnc(CCC(=O)[O-])c(=O)n1N ZINC000012347515 204401063 /nfs/dbraw/zinc/40/10/63/204401063.db2.gz ZAMBFZOXPOZOEI-UHFFFAOYSA-N -1 0 393.425 0.499 50 0 GCAARM COc1cccc(/C=C(/C(=O)N2CCO[C@@H](CC(=O)[O-])C2)n2nnnc2C)c1 ZINC000328595015 209144375 /nfs/dbraw/zinc/14/43/75/209144375.db2.gz INSZYTINBRRAMU-HVVQPJKBSA-N -1 0 387.396 0.690 50 0 GCAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(-n2nnn(C)c2=O)cc1 ZINC000077100116 205032006 /nfs/dbraw/zinc/03/20/06/205032006.db2.gz CDELBZRDSWXXPC-UHFFFAOYSA-N -1 0 395.422 0.615 50 0 GCAARM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000299748679 205100840 /nfs/dbraw/zinc/10/08/40/205100840.db2.gz HVIZOQRUSGNFAS-OAHLLOKOSA-N -1 0 384.454 0.623 50 0 GCAARM CCOc1ccc(C[C@H](CNC(=O)[C@H]2CCCN2S(C)(=O)=O)C(=O)[O-])cc1 ZINC000299750556 205104176 /nfs/dbraw/zinc/10/41/76/205104176.db2.gz NWGGNIXRZPLWFK-GDBMZVCRSA-N -1 0 398.481 0.869 50 0 GCAARM Cc1cccc(OCCNC(=O)CN2[N-]S(=O)(=O)c3ccccc3C2=O)c1 ZINC000060578446 205181574 /nfs/dbraw/zinc/18/15/74/205181574.db2.gz HYLBWDWOYMPYSY-UHFFFAOYSA-N -1 0 389.433 0.839 50 0 GCAARM O=C(c1ccc(NCc2n[nH]c(=O)[n-]2)nc1)N1CCCN(c2ncccn2)CC1 ZINC000067539848 205248301 /nfs/dbraw/zinc/24/83/01/205248301.db2.gz IYBYRQXKELPUDP-UHFFFAOYSA-N -1 0 395.427 0.248 50 0 GCAARM Cc1nn(C)c(C)c1CCC(=O)N1CCC2(CN(CC(=O)[O-])C(=O)O2)CC1 ZINC000077379650 205360696 /nfs/dbraw/zinc/36/06/96/205360696.db2.gz ODLRNOJLKDXZGH-UHFFFAOYSA-N -1 0 378.429 0.868 50 0 GCAARM Cc1cc(=O)n2nc(CC(=O)N[C@@H]3CCCN(Cc4ccccn4)C3)[n-]c2n1 ZINC000072407966 205346446 /nfs/dbraw/zinc/34/64/46/205346446.db2.gz PWHHEUXYEDNMCM-OAHLLOKOSA-N -1 0 381.440 0.857 50 0 GCAARM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cncc(N3CCCC3)n2)cn1C ZINC000170617411 205854525 /nfs/dbraw/zinc/85/45/25/205854525.db2.gz HJHKDBSHSLCMJM-UHFFFAOYSA-N -1 0 378.458 0.918 50 0 GCAARM CSCC[C@@H](NC(=O)CCc1ccc2c(c1)[nH]c(=O)c(=O)n2C)C(=O)[O-] ZINC000252540332 206144185 /nfs/dbraw/zinc/14/41/85/206144185.db2.gz PDMYZKBDWZMHJP-LLVKDONJSA-N -1 0 379.438 0.894 50 0 GCAARM COc1ccc(C(=O)Nc2c(N)nc(SCC(N)=O)[n-]c2=O)cc1OC ZINC000002712594 211516915 /nfs/dbraw/zinc/51/69/15/211516915.db2.gz SAXZLHDLXKBPAH-UHFFFAOYSA-N -1 0 379.398 0.199 50 0 GCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2 ZINC000100859870 211392706 /nfs/dbraw/zinc/39/27/06/211392706.db2.gz CXZYHNBMQZRGSN-RKDXNWHRSA-N -1 0 399.144 0.281 50 0 GCAARM COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3cccc(Br)c3)c(=O)c1-2 ZINC000100170993 211383989 /nfs/dbraw/zinc/38/39/89/211383989.db2.gz OREDNIMQUOTMOS-ZYHUDNBSSA-N -1 0 394.181 0.698 50 0 GCAARM O=C([O-])[C@]12CN(C(=O)CCc3ccc(=O)[nH]n3)C[C@H]1COc1ccccc1C2 ZINC000096139654 211306053 /nfs/dbraw/zinc/30/60/53/211306053.db2.gz IHCKQIPDOKQCCU-VBKZILBWSA-N -1 0 383.404 0.867 50 0 GCAARM COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)c3nnn[n-]3)cc2)CC1 ZINC000095501422 211253529 /nfs/dbraw/zinc/25/35/29/211253529.db2.gz FUQLDZTZJIJPCO-GFCCVEGCSA-N -1 0 388.428 0.707 50 0 GCAARM COCCn1nc(C(=O)N[C@](C)(C(=O)[O-])c2cc(F)ccc2F)ccc1=O ZINC000095424521 211239494 /nfs/dbraw/zinc/23/94/94/211239494.db2.gz GBPRDNBFTQMUER-KRWDZBQOSA-N -1 0 381.335 0.898 50 0 GCAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1ccc(S(C)(=O)=O)cc1)CC2 ZINC000095382514 211231429 /nfs/dbraw/zinc/23/14/29/211231429.db2.gz TXHHWFMAGFHRAG-HNNXBMFYSA-N -1 0 380.466 0.988 50 0 GCAARM CCC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000091650492 211201399 /nfs/dbraw/zinc/20/13/99/211201399.db2.gz OOJGLJMTJDUXSZ-QGZVFWFLSA-N -1 0 395.437 0.872 50 0 GCAARM O=C([O-])CN1CCN(Cc2ccc(Cl)cc2F)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077439561 211133673 /nfs/dbraw/zinc/13/36/73/211133673.db2.gz KGDONKDUKWZAAD-UONOGXRCSA-N -1 0 376.837 0.847 50 0 GCAARM CN(CC(=O)[O-])C(=O)C[C@@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C ZINC000071764642 136166338 /nfs/dbraw/zinc/16/63/38/136166338.db2.gz UBZIEABHSDIEHV-CQSZACIVSA-N -1 0 391.424 0.289 50 0 GCAARM CN1CCO[C@@H](CNc2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)C1 ZINC000096135852 136184053 /nfs/dbraw/zinc/18/40/53/136184053.db2.gz DNLHKPJPNQRPNG-ZDUSSCGKSA-N -1 0 379.461 0.418 50 0 GCAARM CC(C)(C(=O)[O-])c1cnc(NCCN2CCOCC2)nc1N1CCOCC1 ZINC000096139319 136184356 /nfs/dbraw/zinc/18/43/56/136184356.db2.gz JGJQTICBGGXZTP-UHFFFAOYSA-N -1 0 379.461 0.420 50 0 GCAARM O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 ZINC000100037157 136188919 /nfs/dbraw/zinc/18/89/19/136188919.db2.gz TYZAROBTKWYEHS-HNNXBMFYSA-N -1 0 381.392 0.629 50 0 GCAARM CC(=O)N[C@H]1CCN(c2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)C1 ZINC000096149101 534668884 /nfs/dbraw/zinc/66/88/84/534668884.db2.gz SKFBYVUXSIIYRM-ZDUSSCGKSA-N -1 0 377.445 0.390 50 0 GCAARM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)CCOCCOCCOC)cc1 ZINC000408516208 529162755 /nfs/dbraw/zinc/16/27/55/529162755.db2.gz YYGBUUMVJNNLKJ-UHFFFAOYSA-N -1 0 395.499 0.902 50 0 GCAARM CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CO)C(=O)[O-] ZINC000012889572 535704533 /nfs/dbraw/zinc/70/45/33/535704533.db2.gz CBAMZYHLLIRXIF-GMXABZIVSA-N -1 0 392.412 0.131 50 0 biogenic GCAARM CCS(=O)(=O)Nc1ccc(C(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])cc1 ZINC000096149357 570215031 /nfs/dbraw/zinc/21/50/31/570215031.db2.gz XKLORQKUKFAFKI-CQSZACIVSA-N -1 0 378.410 0.823 50 0 GCAARM CNC(=O)CSc1nc(CC(=O)NCc2cccc(OC)c2)cc(=O)[nH]1 ZINC000022629638 570268158 /nfs/dbraw/zinc/26/81/58/570268158.db2.gz VAJNGUUDIYSITP-UHFFFAOYSA-N -1 0 376.438 0.888 50 0 GCAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002385795 570285362 /nfs/dbraw/zinc/28/53/62/570285362.db2.gz CBPORDHWPIQEPF-UHFFFAOYSA-N -1 0 397.478 0.873 50 0 GCAARM COC(=O)C[C@H](c1ccc(OCC(N)=O)cc1)c1c([O-])n2ccccc2nc1=O ZINC000205956188 570340873 /nfs/dbraw/zinc/34/08/73/570340873.db2.gz GEDRREHBKQMUDS-CQSZACIVSA-N -1 0 397.387 0.959 50 0 GCAARM O=C([O-])CC[C@]1(CCC(=O)N2CCCN(c3ncccn3)CC2)CCC(=O)N1 ZINC000219693861 570373151 /nfs/dbraw/zinc/37/31/51/570373151.db2.gz YUYNZWBCFWJZMD-LJQANCHMSA-N -1 0 389.456 0.809 50 0 GCAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccccc3F)[C@@H]2SC1 ZINC000006318103 570377230 /nfs/dbraw/zinc/37/72/30/570377230.db2.gz YTGHOZCLARAFPJ-WBMJQRKESA-N -1 0 394.380 0.741 50 0 GCAARM CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000261892179 570566660 /nfs/dbraw/zinc/56/66/60/570566660.db2.gz VNYWJXNTJVDAQX-LBPRGKRZSA-N -1 0 379.438 0.904 50 0 GCAARM COCc1cc(=O)n2[n-]c(N3CCN(C(=O)CCc4ccccc4)CC3)nc2n1 ZINC000206650455 570645207 /nfs/dbraw/zinc/64/52/07/570645207.db2.gz FXVVBTHJHFGUHI-UHFFFAOYSA-N -1 0 396.451 0.845 50 0 GCAARM COc1ccc(Cl)cc1Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)[O-] ZINC000012443250 570677893 /nfs/dbraw/zinc/67/78/93/570677893.db2.gz MIJGTSKRYMRVPM-UHFFFAOYSA-N -1 0 379.760 0.914 50 0 GCAARM COc1ccc(CN2C[C@H](C(=O)N3CCO[C@H](CC(=O)[O-])C3)CC2=O)cc1 ZINC000262879319 570699337 /nfs/dbraw/zinc/69/93/37/570699337.db2.gz YSEWPZLRMKNEMO-GDBMZVCRSA-N -1 0 376.409 0.746 50 0 GCAARM O=c1[nH]c([O-])c([C@@H]2c3c(ccc4ccccc43)Oc3[nH]c(=O)[nH]c(=O)c32)c(=O)[nH]1 ZINC000004424578 570759734 /nfs/dbraw/zinc/75/97/34/570759734.db2.gz AMBFQKFJAUCEPJ-NSHDSACASA-N -1 0 392.327 0.997 50 0 GCAARM Cn1c(=O)n(C)c(-c2c([O-])n(C)c(=O)n(C)c2=O)c1-c1ccc(Cl)cc1 ZINC000238900548 570812300 /nfs/dbraw/zinc/81/23/00/570812300.db2.gz JMLAETZKWPWAFX-UHFFFAOYSA-N -1 0 376.800 0.814 50 0 GCAARM Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC[C@H](C(=O)[O-])C3)CC2)c1 ZINC000299745472 570824168 /nfs/dbraw/zinc/82/41/68/570824168.db2.gz ZKNPQQFOIAAVNS-HNNXBMFYSA-N -1 0 395.481 0.380 50 0 GCAARM CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC000014948944 570864974 /nfs/dbraw/zinc/86/49/74/570864974.db2.gz NVGDLMUKSMHEQT-MYMXGEOPSA-N -1 0 399.300 0.339 50 0 GCAARM CC(C)NC(=O)CN1CCN(c2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)CC1 ZINC000033259930 570868601 /nfs/dbraw/zinc/86/86/01/570868601.db2.gz WPRRYWDLOIPPBC-UHFFFAOYSA-N -1 0 398.485 0.403 50 0 GCAARM Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000170624307 570880620 /nfs/dbraw/zinc/88/06/20/570880620.db2.gz UDJBJNOFBGYETC-ZDUSSCGKSA-N -1 0 381.392 0.863 50 0 GCAARM COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCc2nc(=O)o[n-]2)C(C)C)c1 ZINC000089791077 570915802 /nfs/dbraw/zinc/91/58/02/570915802.db2.gz PTHMPGUXAHBQRF-CQSZACIVSA-N -1 0 378.385 0.451 50 0 GCAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC(=O)NCC(=O)[O-])ccc12 ZINC000002104412 570946234 /nfs/dbraw/zinc/94/62/34/570946234.db2.gz QKXJNTODKDYYQR-LLVKDONJSA-N -1 0 390.392 0.830 50 0 biogenic GCAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCn1c(=O)[nH]c2ccccc2c1=O ZINC000002130930 570961935 /nfs/dbraw/zinc/96/19/35/570961935.db2.gz RRMPBSCSEIFYDV-INIZCTEOSA-N -1 0 381.388 0.892 50 0 biogenic GCAARM O=C(NCCc1n[nH]c(=O)[n-]1)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000091594128 571016774 /nfs/dbraw/zinc/01/67/74/571016774.db2.gz XNFVALICRZDXHM-CYBMUJFWSA-N -1 0 391.859 0.891 50 0 GCAARM CCn1cc(S(=O)(=O)N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)c(C)n1 ZINC000095383426 571069000 /nfs/dbraw/zinc/06/90/00/571069000.db2.gz HZPDOOFDKFITQT-GFCCVEGCSA-N -1 0 384.458 0.298 50 0 GCAARM CCOc1ccc(-n2ncc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)c2C)nn1 ZINC000299747835 601741162 /nfs/dbraw/zinc/74/11/62/601741162.db2.gz FHNRKBYHBNFOBT-LBPRGKRZSA-N -1 0 375.385 0.685 50 0 GCAARM O=C([O-])[C@@]12CN(S(=O)(=O)c3ccc4c(c3)OCCCO4)C[C@@H]1COCC2 ZINC001772701603 1187632644 /nfs/dbraw/zinc/63/26/44/1187632644.db2.gz FXDFDXAYIWXEMW-PXAZEXFGSA-N -1 0 383.422 0.960 50 0 GCAARM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(Cc2nc3ccccc3s2)CCO1 ZINC000263005983 1197540194 /nfs/dbraw/zinc/54/01/94/1197540194.db2.gz XYVDXUGNLHPIPS-GFCCVEGCSA-N -1 0 399.494 0.843 50 0 GCAARM CCc1ccccc1C(=O)N1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000263202045 1197542454 /nfs/dbraw/zinc/54/24/54/1197542454.db2.gz VGASRMKQSWQJMK-AWEZNQCLSA-N -1 0 384.454 0.436 50 0 GCAARM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2ccnc(C3CC3)c2)CCO1 ZINC000263446730 1197545179 /nfs/dbraw/zinc/54/51/79/1197545179.db2.gz REIQSAMVMPMRFV-CQSZACIVSA-N -1 0 397.453 0.146 50 0 GCAARM COc1cc(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)cc2c1OCCO2 ZINC000095970573 1199890191 /nfs/dbraw/zinc/89/01/91/1199890191.db2.gz LHUVFFVXKYBUPM-UHFFFAOYSA-N -1 0 392.408 0.862 50 0 GCAARM C[C@]1(c2cccc([N-]S(=O)(=O)c3cnc4n3CCC4)c2)NC(=O)NC1=O ZINC000097165070 1199917003 /nfs/dbraw/zinc/91/70/03/1199917003.db2.gz OKASWVLFQGVRGI-MRXNPFEDSA-N -1 0 375.410 0.685 50 0 GCAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)cn1C ZINC000031667709 1200098060 /nfs/dbraw/zinc/09/80/60/1200098060.db2.gz FCYDVSZBFNGNMF-VIFPVBQESA-N -1 0 378.410 0.905 50 0 GCAARM C[C@H](Oc1ccccc1CN1CCN(S(=O)(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000828445708 1201717622 /nfs/dbraw/zinc/71/76/22/1201717622.db2.gz YRKUYNAKQCKVGG-HNNXBMFYSA-N -1 0 397.497 0.997 50 0 GCAARM CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2OCC(=O)[O-])NC(=O)N1 ZINC000065409879 1201883125 /nfs/dbraw/zinc/88/31/25/1201883125.db2.gz WWFQQENVVOUPOY-INIZCTEOSA-N -1 0 375.381 0.637 50 0 GCAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000630314454 953852870 /nfs/dbraw/zinc/85/28/70/953852870.db2.gz SDSGUAONKPLLLI-CABCVRRESA-N -1 0 381.454 0.852 50 0 GCAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000008764756 956887436 /nfs/dbraw/zinc/88/74/36/956887436.db2.gz TUEVYKDSDLPVBB-INIZCTEOSA-N -1 0 379.372 0.728 50 0 biogenic GCAARM Cc1c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cnn1-c1ccc(=O)[nH]n1 ZINC000299749192 962939261 /nfs/dbraw/zinc/93/92/61/962939261.db2.gz JJXQJLQJHHKAHY-OAHLLOKOSA-N -1 0 379.376 0.916 50 0 GCAARM CCOC(=O)C1=C(COC(=O)c2ccccc2[N-]S(C)(=O)=O)NC(=O)NC1 ZINC000018263470 210220062 /nfs/dbraw/zinc/22/00/62/210220062.db2.gz IFTRDCPSPGCABW-UHFFFAOYSA-N -1 0 397.409 0.345 50 0 GCAARM COc1ccccc1-n1c(=O)cc([O-])nc1SCC(=O)N1CCOCC1 ZINC000017945669 210212039 /nfs/dbraw/zinc/21/20/39/210212039.db2.gz VKNUEPRYSQBSDA-UHFFFAOYSA-N -1 0 377.422 0.898 50 0 GCAARM NC1=NC(=O)[C@@](I)(Cc2ccc(C(=O)[O-])cc2)C(=O)N1 ZINC000006863302 530123053 /nfs/dbraw/zinc/12/30/53/530123053.db2.gz XXRCWODFXLJTQM-UHFFFAOYSA-N -1 0 387.133 0.072 50 0 GCAARM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000261606170 530128517 /nfs/dbraw/zinc/12/85/17/530128517.db2.gz DNAICXUFHDGPGE-SNVBAGLBSA-N -1 0 377.440 0.584 50 0 GCAARM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000277198128 530330130 /nfs/dbraw/zinc/33/01/30/530330130.db2.gz FBYKEEOGNAZISO-LBPRGKRZSA-N -1 0 390.483 0.812 50 0 GCAARM Cc1[n-]n(Cc2ccccc2Cl)c(=O)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000101901812 530362431 /nfs/dbraw/zinc/36/24/31/530362431.db2.gz AUZWIKKLTFHBGY-OCCSQVGLSA-N -1 0 383.857 0.978 50 0 GCAARM NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000013269891 530362541 /nfs/dbraw/zinc/36/25/41/530362541.db2.gz QXTWJCNYPXTFRN-SNVBAGLBSA-N -1 0 377.216 0.786 50 0 GCAARM O=C([O-])C[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccc(Br)cc1 ZINC000652053071 530393187 /nfs/dbraw/zinc/39/31/87/530393187.db2.gz QFIPZOIHIHJJQW-MNOVXSKESA-N -1 0 391.243 0.773 50 0 GCAARM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(F)c2)C1 ZINC000108377873 530426108 /nfs/dbraw/zinc/42/61/08/530426108.db2.gz HJSOHWVFYUOWOJ-GXFFZTMASA-N -1 0 376.381 0.878 50 0 GCAARM CCNS(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000170617526 530642383 /nfs/dbraw/zinc/64/23/83/530642383.db2.gz HDVXWRKNXZCOOT-SECBINFHSA-N -1 0 381.451 0.342 50 0 GCAARM Cn1cc(-c2noc(C[N-]S(=O)(=O)c3cccc4nsnc43)n2)cn1 ZINC000575617947 530835042 /nfs/dbraw/zinc/83/50/42/530835042.db2.gz YCOUZDSJZHQKQA-UHFFFAOYSA-N -1 0 377.411 0.953 50 0 GCAARM O=S(=O)([N-]c1ccncc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000095950214 530921950 /nfs/dbraw/zinc/92/19/50/530921950.db2.gz JHHKYHZMIOPCNL-UHFFFAOYSA-N -1 0 383.451 0.903 50 0 GCAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCc2csc(-c3cnccn3)n2)C1 ZINC000670454178 530940377 /nfs/dbraw/zinc/94/03/77/530940377.db2.gz NVIFGGBFRSXEJT-SNVBAGLBSA-N -1 0 383.455 0.731 50 0 GCAARM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2sccc2Cl)CCO1 ZINC000263452675 531002296 /nfs/dbraw/zinc/00/22/96/531002296.db2.gz SWKRGHSYAVXAGI-SECBINFHSA-N -1 0 396.874 0.589 50 0 GCAARM NS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000013249060 210055291 /nfs/dbraw/zinc/05/52/91/210055291.db2.gz UMGMTOCFONXHEW-UHFFFAOYSA-N -1 0 384.435 0.652 50 0 GCAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000013265579 210055003 /nfs/dbraw/zinc/05/50/03/210055003.db2.gz IPGIBFNWTFBBEN-AWEZNQCLSA-N -1 0 392.389 0.835 50 0 GCAARM Cn1c2nc(SCC(=O)[O-])n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000005042138 209561400 /nfs/dbraw/zinc/56/14/00/209561400.db2.gz ZCAWZDBAXTYQPD-UHFFFAOYSA-N -1 0 378.385 0.798 50 0 GCAARM COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3cccc(Br)c3)c(=O)c1-2 ZINC000004694757 209512400 /nfs/dbraw/zinc/51/24/00/209512400.db2.gz OREDNIMQUOTMOS-CMPLNLGQSA-N -1 0 394.181 0.698 50 0 GCAARM Cc1cc(OCC(=O)NCC(=O)NCC(=O)[O-])c2c(C)c(C)c(=O)oc2c1 ZINC000002092071 209345896 /nfs/dbraw/zinc/34/58/96/209345896.db2.gz OORNXEUTFWNWBH-UHFFFAOYSA-N -1 0 376.365 0.414 50 0 biogenic GCAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC(=O)NCC(=O)[O-])ccc12 ZINC000002104411 203927951 /nfs/dbraw/zinc/92/79/51/203927951.db2.gz QKXJNTODKDYYQR-NSHDSACASA-N -1 0 390.392 0.830 50 0 biogenic GCAARM O=C([O-])[C@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000005785315 204151348 /nfs/dbraw/zinc/15/13/48/204151348.db2.gz TYDGGWYIJKMLEO-JHZZJYKESA-N -1 0 399.193 0.873 50 0 GCAARM O=C([O-])CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCc1ccccc1 ZINC000012137037 204373756 /nfs/dbraw/zinc/37/37/56/204373756.db2.gz QYSWBUUPPFQFFZ-OAHLLOKOSA-N -1 0 376.409 0.744 50 0 GCAARM O=C([O-])CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCOc1ccccc1 ZINC000012137199 204374283 /nfs/dbraw/zinc/37/42/83/204374283.db2.gz NIZRZGBEEUPSAH-HNNXBMFYSA-N -1 0 392.408 0.581 50 0 GCAARM COc1ccc(Cn2c(C)cn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1 ZINC000036369809 205015127 /nfs/dbraw/zinc/01/51/27/205015127.db2.gz YBYTVMQBKAAZIZ-UHFFFAOYSA-N -1 0 397.391 0.599 50 0 biogenic GCAARM O=c1ccc(-n2cccn2)nn1CC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000077100073 205032357 /nfs/dbraw/zinc/03/23/57/205032357.db2.gz PYKHTRKBVMHRLV-UHFFFAOYSA-N -1 0 381.364 0.686 50 0 GCAARM NS(=O)(=O)c1cc(F)cc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1Br ZINC000299746224 205100705 /nfs/dbraw/zinc/10/07/05/205100705.db2.gz VWKIYQKPFYZCPL-MRVPVSSYSA-N -1 0 395.206 0.925 50 0 GCAARM COc1ccc(-c2ccc(=O)n(CC(=O)NCCCC(=O)[O-])n2)cc1OC ZINC000049550318 205129078 /nfs/dbraw/zinc/12/90/78/205129078.db2.gz BYIDLKDJVZQUJF-UHFFFAOYSA-N -1 0 375.381 0.909 50 0 GCAARM CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@@H](c1ccccc1)n1cnnn1)C2 ZINC000067692848 205256552 /nfs/dbraw/zinc/25/65/52/205256552.db2.gz MQJOEECFZGGJCB-MRXNPFEDSA-N -1 0 381.396 0.762 50 0 GCAARM O=C([O-])[C@@H]1CN(c2ncccn2)CCN1C(=O)c1scc2c1OCCO2 ZINC000071751352 205291851 /nfs/dbraw/zinc/29/18/51/205291851.db2.gz IFWWWUMYBSUKLL-JTQLQIEISA-N -1 0 376.394 0.725 50 0 GCAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000072454231 205352592 /nfs/dbraw/zinc/35/25/92/205352592.db2.gz HJUVHBXVAPZEQS-LLVKDONJSA-N -1 0 388.467 0.848 50 0 GCAARM Cn1nc(C(=O)N2CCC3(CN(CC(=O)[O-])C(=O)O3)CC2)c2c1CCCC2 ZINC000077505932 205364236 /nfs/dbraw/zinc/36/42/36/205364236.db2.gz FWIRHZFFXUQTLL-UHFFFAOYSA-N -1 0 376.413 0.811 50 0 GCAARM O=C([O-])C1(n2ccc(-c3ccco3)n2)CCN(C(=O)[C@H]2COCCO2)CC1 ZINC000072417879 205347490 /nfs/dbraw/zinc/34/74/90/205347490.db2.gz OKDCXGIWJQBNQX-OAHLLOKOSA-N -1 0 375.381 0.961 50 0 GCAARM COc1ccc(CCN2C[C@@H](C(=O)NCCc3n[nH]c(=O)[n-]3)CCC2=O)cc1 ZINC000091474062 205416711 /nfs/dbraw/zinc/41/67/11/205416711.db2.gz KKVKTVMRZNQATF-AWEZNQCLSA-N -1 0 387.440 0.247 50 0 GCAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)c1ccc(-n3cnnn3)cc1)C2 ZINC000072433519 211118467 /nfs/dbraw/zinc/11/84/67/211118467.db2.gz MJLRTODIUCBZAV-UHFFFAOYSA-N -1 0 381.396 0.922 50 0 GCAARM COc1ccccc1CC(=O)N1C[C@H](C(=O)N2CCOCC2)C[C@H](C(=O)[O-])C1 ZINC000072159270 211078716 /nfs/dbraw/zinc/07/87/16/211078716.db2.gz VQQISVRFAWQQGC-CVEARBPZSA-N -1 0 390.436 0.646 50 0 GCAARM Cn1c(=O)n(CC[N-]S(=O)(=O)c2c(F)cccc2F)nc1C(F)(F)F ZINC000090591403 211035530 /nfs/dbraw/zinc/03/55/30/211035530.db2.gz LQAFFNUSAUFIRK-UHFFFAOYSA-N -1 0 386.302 0.857 50 0 GCAARM CCc1ccc(S(=O)(=O)N2CCc3c(c(C(=O)[O-])nn3CCO)C2)cc1 ZINC000067820328 211023177 /nfs/dbraw/zinc/02/31/77/211023177.db2.gz VESPPQCGIYETBA-UHFFFAOYSA-N -1 0 379.438 0.883 50 0 GCAARM Cc1nc(S(=O)(=O)N2CCc3c(c(C(=O)[O-])nn3CC3CC3)C2)cn1C ZINC000067673622 211015657 /nfs/dbraw/zinc/01/56/57/211015657.db2.gz YWOPZOGMOPWETQ-UHFFFAOYSA-N -1 0 379.442 0.780 50 0 GCAARM O=C([O-])[C@@H]1CN(c2ncccn2)CCN1C(=O)c1ccc(-n2cnnc2)cc1 ZINC000071763951 136166318 /nfs/dbraw/zinc/16/63/18/136166318.db2.gz WHULBJFYFFZQLI-HNNXBMFYSA-N -1 0 379.380 0.473 50 0 GCAARM Cc1cccc(N2CCN(CC(=O)N3Cc4nc[nH]c4C[C@@H]3C(=O)[O-])CC2)c1 ZINC000096166355 136184931 /nfs/dbraw/zinc/18/49/31/136184931.db2.gz GPPBXVSASQEUIE-GOSISDBHSA-N -1 0 383.452 0.878 50 0 GCAARM CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CO)C(=O)[O-] ZINC000008994206 136195857 /nfs/dbraw/zinc/19/58/57/136195857.db2.gz CBAMZYHLLIRXIF-WBIUFABUSA-N -1 0 392.412 0.781 50 0 biogenic GCAARM CNS(=O)(=O)c1cc(/C=C/C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1OC ZINC000269054281 522255583 /nfs/dbraw/zinc/25/55/83/522255583.db2.gz WMABNJRIFDLODI-QQOXCAACSA-N -1 0 382.438 0.940 50 0 GCAARM CC(C)(O)CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccnc2)c1 ZINC000408521740 527352241 /nfs/dbraw/zinc/35/22/41/527352241.db2.gz SFEWEKYKTAEFDM-UHFFFAOYSA-N -1 0 385.467 0.932 50 0 GCAARM Cn1c(=O)c(-c2noc(CCC(=O)[O-])n2)nn(-c2ccc(Cl)cc2)c1=O ZINC000021147250 570288492 /nfs/dbraw/zinc/28/84/92/570288492.db2.gz NDILRNFNRGNZND-UHFFFAOYSA-N -1 0 377.744 0.652 50 0 GCAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000217993561 570323437 /nfs/dbraw/zinc/32/34/37/570323437.db2.gz ZINZHUDKDWZVFF-MNOVXSKESA-N -1 0 378.303 0.242 50 0 GCAARM CC(C)N(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)[O-] ZINC000011693980 570342911 /nfs/dbraw/zinc/34/29/11/570342911.db2.gz PFWDNSQAJZFDHR-UHFFFAOYSA-N -1 0 385.424 0.933 50 0 GCAARM COc1ccc2c(c1)[C@@]1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2C(C)=O ZINC000000806629 570348940 /nfs/dbraw/zinc/34/89/40/570348940.db2.gz VCSSBSWTTXKOTR-MRXNPFEDSA-N -1 0 376.394 0.744 50 0 GCAARM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cc(C(F)(F)F)nn3C)[C@@H]2SC1 ZINC000006393808 570403795 /nfs/dbraw/zinc/40/37/95/570403795.db2.gz DKRCWUMYQNGXNB-UFBFGSQYSA-N -1 0 390.343 0.811 50 0 GCAARM C[C@@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000006602855 570493356 /nfs/dbraw/zinc/49/33/56/570493356.db2.gz ZEGUMFFADBKMSG-LSPCLFAPSA-N -1 0 379.457 0.398 50 0 GCAARM CC1=NS(=O)(=O)N(CCCN2C(=O)c3ccccc3C2=O)C=C1C(=O)[O-] ZINC000169759071 570661367 /nfs/dbraw/zinc/66/13/67/570661367.db2.gz WIPJTNSWAQSOAC-UHFFFAOYSA-N -1 0 377.378 0.663 50 0 GCAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000013265580 570752077 /nfs/dbraw/zinc/75/20/77/570752077.db2.gz IPGIBFNWTFBBEN-CQSZACIVSA-N -1 0 392.389 0.835 50 0 GCAARM COC(=O)c1cc2n(n1)CCN(C(=O)c1ccc(N3CC(=O)N=C3[O-])cc1)C2 ZINC000065434884 570768360 /nfs/dbraw/zinc/76/83/60/570768360.db2.gz TYXFSHRLTXPVEK-UHFFFAOYSA-N -1 0 383.364 0.382 50 0 GCAARM CC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@@H]1c1c[nH]c2ccccc21 ZINC000101455628 570823538 /nfs/dbraw/zinc/82/35/38/570823538.db2.gz RQUSXRDQPXIGAO-OAHLLOKOSA-N -1 0 381.392 0.969 50 0 GCAARM CC(C)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004025661 570904118 /nfs/dbraw/zinc/90/41/18/570904118.db2.gz CZUIZHWORLDXSN-HIFRSBDPSA-N -1 0 379.413 0.772 50 0 biogenic GCAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c2nonc21 ZINC000017077353 570938960 /nfs/dbraw/zinc/93/89/60/570938960.db2.gz OIIACASYIIVKGA-UHFFFAOYSA-N -1 0 378.414 0.902 50 0 GCAARM COc1cc2oc(=O)c(CC(=O)NCC(=O)NCC(=O)[O-])c(C)c2cc1Cl ZINC000002113067 570950850 /nfs/dbraw/zinc/95/08/50/570950850.db2.gz WTLFVEAWBFMUTP-UHFFFAOYSA-N -1 0 396.783 0.623 50 0 biogenic GCAARM Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002159276 570974853 /nfs/dbraw/zinc/97/48/53/570974853.db2.gz STPHZLVZJPSQCI-SFHVURJKSA-N -1 0 390.392 0.822 50 0 biogenic GCAARM COc1ccc(CN2CCN(CCC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000091391333 571005794 /nfs/dbraw/zinc/00/57/94/571005794.db2.gz VAZBUKXVIHFTBF-CVEARBPZSA-N -1 0 382.482 0.762 50 0 GCAARM Cc1cccc(CC(=O)N2CCN(CCC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000091425202 571007144 /nfs/dbraw/zinc/00/71/44/571007144.db2.gz BIWAJVDTCFHCRR-CVEARBPZSA-N -1 0 380.466 0.322 50 0 GCAARM CCOc1ccccc1CN1CCN(CCC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000091604915 571017872 /nfs/dbraw/zinc/01/78/72/571017872.db2.gz NKMJCGBFHNLPMO-CVEARBPZSA-N -1 0 382.482 0.843 50 0 GCAARM CCOc1ccc(-n2ncc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)c2C)nn1 ZINC000299747834 601741198 /nfs/dbraw/zinc/74/11/98/601741198.db2.gz FHNRKBYHBNFOBT-GFCCVEGCSA-N -1 0 375.385 0.685 50 0 GCAARM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccccc2Cl)CCO1 ZINC000262865008 639140202 /nfs/dbraw/zinc/14/02/02/639140202.db2.gz BUWNWWXQJXRWIV-NSHDSACASA-N -1 0 390.845 0.527 50 0 GCAARM COC(=O)c1cn([C@@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@@H]23)cc2c(=O)[nH]nc1-2 ZINC000888089981 1192350754 /nfs/dbraw/zinc/35/07/54/1192350754.db2.gz SILGJRHTYIAZTP-RISCZKNCSA-N -1 0 390.377 0.690 50 0 GCAARM Cn1c(=O)[nH]c(=O)c2nc(CCC(=O)Nc3cccc(C(=O)[O-])c3)c(=O)[nH]c21 ZINC000253630368 1199047802 /nfs/dbraw/zinc/04/78/02/1199047802.db2.gz YCIANZPFKPOCAC-UHFFFAOYSA-N -1 0 385.336 0.404 50 0 GCAARM Cn1c(=O)[nH]c(=O)c2nc(CCC(=O)Nc3ccccc3C(=O)[O-])c(=O)[nH]c21 ZINC000253630342 1199048329 /nfs/dbraw/zinc/04/83/29/1199048329.db2.gz AUMCRJKTPKAIFN-UHFFFAOYSA-N -1 0 385.336 0.404 50 0 GCAARM CS(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(OCC(=O)[O-])cc2)C1 ZINC000299747409 1199922485 /nfs/dbraw/zinc/92/24/85/1199922485.db2.gz CXHCRSLPPSEYRS-AWEZNQCLSA-N -1 0 384.454 0.480 50 0 GCAARM O=C(CN1[N-]S(=O)(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCCO2 ZINC000003408364 1200048257 /nfs/dbraw/zinc/04/82/57/1200048257.db2.gz SMHLCFOPONCCFO-UHFFFAOYSA-N -1 0 389.389 0.746 50 0 GCAARM NC(=O)NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000003444576 1200055281 /nfs/dbraw/zinc/05/52/81/1200055281.db2.gz KJEHIZZDMJQJLJ-UHFFFAOYSA-N -1 0 395.368 0.978 50 0 GCAARM 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/nfs/dbraw/zinc/15/63/93/136156393.db2.gz IUZRDAMDPKZGMO-UHFFFAOYSA-N -1 0 382.417 0.901 50 0 GCAARM O=C([O-])[C@H]1CN(c2ncccn2)CCN1C(=O)c1ccc(-n2cnnc2)cc1 ZINC000071763952 136166439 /nfs/dbraw/zinc/16/64/39/136166439.db2.gz WHULBJFYFFZQLI-OAHLLOKOSA-N -1 0 379.380 0.473 50 0 GCAARM O=C([O-])c1cc2n(n1)CCCN(S(=O)(=O)c1ccc3[nH]c(=O)[nH]c3c1)C2 ZINC000067908086 222168178 /nfs/dbraw/zinc/16/81/78/222168178.db2.gz IVHSQGXZHKLDKB-UHFFFAOYSA-N -1 0 377.382 0.346 50 0 GCAARM Cc1ccc(NC(=O)N2CCN(CC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000077322508 222278354 /nfs/dbraw/zinc/27/83/54/222278354.db2.gz LFZULDDWMFPXFR-CABCVRRESA-N -1 0 381.454 0.703 50 0 GCAARM O=C([O-])CN1CCN(Cc2cc(F)ccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077358010 222279098 /nfs/dbraw/zinc/27/90/98/222279098.db2.gz OYUALMDTDMEKPX-UONOGXRCSA-N -1 0 376.837 0.847 50 0 GCAARM CC[C@H](C)NC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nn[nH]n3)cc2C1 ZINC000077564873 222285185 /nfs/dbraw/zinc/28/51/85/222285185.db2.gz WOSJHRZLTFINLL-JTQLQIEISA-N 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CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1cccc(C(=O)[O-])c1)C2 ZINC000221163962 570391429 /nfs/dbraw/zinc/39/14/29/570391429.db2.gz QRFLESGAKMYOGH-INIZCTEOSA-N -1 0 379.438 0.675 50 0 GCAARM CCn1c(=O)[nH]c2cc(C(=O)N[C@H](C(=O)[O-])[C@H]3CCCOC3)ccc2c1=O ZINC000262707056 570455486 /nfs/dbraw/zinc/45/54/86/570455486.db2.gz ASLTWVBAVBTEQL-FZMZJTMJSA-N -1 0 375.381 0.732 50 0 GCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000223783547 570484244 /nfs/dbraw/zinc/48/42/44/570484244.db2.gz VBEHPHRYBIDCGZ-GHMZBOCLSA-N -1 0 378.303 0.242 50 0 GCAARM CC(=O)NCCNC(=O)CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002975302 570524952 /nfs/dbraw/zinc/52/49/52/570524952.db2.gz NVMMGFJROCJNMG-UHFFFAOYSA-N -1 0 378.410 0.430 50 0 GCAARM CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)[O-])CC2)cc1 ZINC000006668880 570526943 /nfs/dbraw/zinc/52/69/43/570526943.db2.gz GAFDEWDBIPWOHB-NSHDSACASA-N -1 0 397.453 0.635 50 0 GCAARM CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCCC(=O)[O-] ZINC000005324575 570553829 /nfs/dbraw/zinc/55/38/29/570553829.db2.gz LZPOFFYLPFLYEH-PXAZEXFGSA-N -1 0 393.415 0.910 50 0 GCAARM COC(=O)c1ccc(NC(=O)CSC2=NC(=O)C(NC(C)=O)C([O-])=N2)cc1 ZINC000010034969 570565174 /nfs/dbraw/zinc/56/51/74/570565174.db2.gz RJZNPCGFXWFHHS-UHFFFAOYSA-N -1 0 392.393 0.951 50 0 GCAARM CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000261892178 570566622 /nfs/dbraw/zinc/56/66/22/570566622.db2.gz VNYWJXNTJVDAQX-GFCCVEGCSA-N -1 0 379.438 0.904 50 0 GCAARM NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000005602348 570667580 /nfs/dbraw/zinc/66/75/80/570667580.db2.gz SHYRYHQCPWCSJC-UHFFFAOYSA-N -1 0 392.389 0.901 50 0 GCAARM COc1cccc(-c2nc(SCC(=O)[O-])c3c(=O)n(C)c(=O)n(C)c3n2)c1 ZINC000004341365 570676651 /nfs/dbraw/zinc/67/66/51/570676651.db2.gz NCXXXDNEKIUQLH-UHFFFAOYSA-N -1 0 388.405 0.880 50 0 GCAARM CCOCCn1c(=O)n(C[C@@H](C)N2CCOCC2)c2cc(C(=O)[O-])cnc21 ZINC000055358733 570692158 /nfs/dbraw/zinc/69/21/58/570692158.db2.gz ZCOJZJJEJOBLHJ-CYBMUJFWSA-N -1 0 378.429 0.653 50 0 GCAARM O=C([O-])c1cnc2c(c1)n(C[C@H]1COCCO1)c(=O)n2CCc1ccccn1 ZINC000055371339 570693164 /nfs/dbraw/zinc/69/31/64/570693164.db2.gz SEIATTYSEFYJBK-HNNXBMFYSA-N -1 0 384.392 0.949 50 0 GCAARM CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCC(=O)[O-] ZINC000013555715 570758356 /nfs/dbraw/zinc/75/83/56/570758356.db2.gz XXGLEDWUWLKZKI-PRXAMGSTSA-N -1 0 393.415 0.910 50 0 GCAARM Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)[N-]c1ncccn1 ZINC000013693640 570776643 /nfs/dbraw/zinc/77/66/43/570776643.db2.gz NFHZOBGFYNWPHD-LLVKDONJSA-N -1 0 396.450 0.898 50 0 GCAARM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000101186927 570816156 /nfs/dbraw/zinc/81/61/56/570816156.db2.gz KPEKLRNGYMRJSF-BXUZGUMPSA-N -1 0 379.394 0.375 50 0 GCAARM COc1cc([C@@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2C(C)=O)ccc1O ZINC000101455699 570823723 /nfs/dbraw/zinc/82/37/23/570823723.db2.gz VWYALDNHDSDVQH-LBPRGKRZSA-N -1 0 388.380 0.201 50 0 GCAARM CC(C)[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004025662 570903931 /nfs/dbraw/zinc/90/39/31/570903931.db2.gz CZUIZHWORLDXSN-UKRRQHHQSA-N -1 0 379.413 0.772 50 0 biogenic GCAARM CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O ZINC000033330779 570986394 /nfs/dbraw/zinc/98/63/94/570986394.db2.gz IVOIUYAXYJWPAC-UHFFFAOYSA-N -1 0 380.426 0.702 50 0 GCAARM COc1cc(C)ccc1S(=O)(=O)N1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-] ZINC000095391042 571072471 /nfs/dbraw/zinc/07/24/71/571072471.db2.gz RMHISHPDEFEATR-LBPRGKRZSA-N -1 0 382.438 0.748 50 0 GCAARM CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299753471 601282874 /nfs/dbraw/zinc/28/28/74/601282874.db2.gz YHZWQGIOUUOYNH-JKSUJKDBSA-N -1 0 377.372 0.666 50 0 GCAARM COC(=O)c1cn([C@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@@H]23)cc2c(=O)[nH]nc1-2 ZINC000888089980 1192350955 /nfs/dbraw/zinc/35/09/55/1192350955.db2.gz SILGJRHTYIAZTP-FZMZJTMJSA-N -1 0 390.377 0.690 50 0 GCAARM Cc1ccc(C(=O)N2CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C2)cc1C ZINC000262892834 1197176567 /nfs/dbraw/zinc/17/65/67/1197176567.db2.gz HALPOIXSXWCBQS-OAHLLOKOSA-N -1 0 384.454 0.491 50 0 GCAARM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@@H]2CCc3ccccc32)CCO1 ZINC000262953140 1197539305 /nfs/dbraw/zinc/53/93/05/1197539305.db2.gz OYYOLIJKBLYAIL-GOEBONIOSA-N -1 0 396.465 0.290 50 0 GCAARM CO[C@@H](CS(=O)(=O)Nc1nc2nc(C)cc(=O)n2[n-]1)c1ccc(F)cc1 ZINC000530153321 1199083559 /nfs/dbraw/zinc/08/35/59/1199083559.db2.gz OBOJXWOSCBYTSW-LBPRGKRZSA-N -1 0 381.389 0.995 50 0 GCAARM CO[C@H](CS(=O)(=O)Nc1nc2nc(C)cc(=O)n2[n-]1)c1ccc(F)cc1 ZINC000530153313 1199083604 /nfs/dbraw/zinc/08/36/04/1199083604.db2.gz OBOJXWOSCBYTSW-GFCCVEGCSA-N -1 0 381.389 0.995 50 0 GCAARM O=C(NC1=NN(c2ccccc2)C(=O)[C@]1(O)S(=O)(=O)[O-])c1ccccc1 ZINC000057311674 1199960121 /nfs/dbraw/zinc/96/01/21/1199960121.db2.gz WTFGMAMOGGWVRQ-MRXNPFEDSA-N -1 0 375.362 0.353 50 0 GCAARM COCCn1c(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2[n-]c1=S ZINC000003043642 1199980019 /nfs/dbraw/zinc/98/00/19/1199980019.db2.gz PATMMNGDUQMSMM-UHFFFAOYSA-N -1 0 392.481 0.767 50 0 GCAARM Cc1nccn1CCNC(=O)c1cnc([O-])n(Cc2ccc3c(c2)OCO3)c1=O ZINC000077099876 1201187894 /nfs/dbraw/zinc/18/78/94/1201187894.db2.gz UUOXLQPNGSRKFB-UHFFFAOYSA-N -1 0 397.391 0.661 50 0 GCAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-n2nnn(C)c2=O)cc1 ZINC000077100108 1201188271 /nfs/dbraw/zinc/18/82/71/1201188271.db2.gz WCCRWUQNPZQBID-UHFFFAOYSA-N -1 0 379.373 0.915 50 0 GCAARM CNS(=O)(=O)c1cc(/C=C\C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1OC ZINC000606441807 1201262924 /nfs/dbraw/zinc/26/29/24/1201262924.db2.gz WMABNJRIFDLODI-WVRJYTFGSA-N -1 0 382.438 0.940 50 0 GCAARM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2cnc3cc(C)nn3c2C)CCO1 ZINC000681940352 1201944009 /nfs/dbraw/zinc/94/40/09/1201944009.db2.gz AADFYBJOXILQHD-CQSZACIVSA-N -1 0 389.412 0.120 50 0 GCAARM CC(=O)Nc1cc(C(=O)N2CCO[C@H](CN(CC(=O)[O-])C(C)=O)C2)ccc1C ZINC000681943163 1201944030 /nfs/dbraw/zinc/94/40/30/1201944030.db2.gz JDMHBIDMFDZJMP-INIZCTEOSA-N -1 0 391.424 0.728 50 0 GCAARM O=C([O-])Cn1cnc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000647782307 953982140 /nfs/dbraw/zinc/98/21/40/953982140.db2.gz FYDXUDLPHPBYSP-GFCCVEGCSA-N -1 0 375.360 0.993 50 0 GCAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)CN2CCCS2(=O)=O)cc1OC ZINC000262125069 961479839 /nfs/dbraw/zinc/47/98/39/961479839.db2.gz LSHZVNOGIWVZSF-LBPRGKRZSA-N -1 0 386.426 0.371 50 0 GCAARM CCOc1ccc(C[C@@H](CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)C(=O)[O-])cc1 ZINC000299750558 962939673 /nfs/dbraw/zinc/93/96/73/962939673.db2.gz NWGGNIXRZPLWFK-HOCLYGCPSA-N -1 0 398.481 0.869 50 0 GCAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)CCO1 ZINC000566662682 974618849 /nfs/dbraw/zinc/61/88/49/974618849.db2.gz BCIVLXIPXDOPBO-IAQYHMDHSA-N -1 0 389.401 0.715 50 0 GCAARM Cc1nnc([N-][C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000002867249 530123713 /nfs/dbraw/zinc/12/37/13/530123713.db2.gz ISDGFKAAPMVOCT-LLVKDONJSA-N -1 0 376.320 0.066 50 0 GCAARM Cn1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c(=O)n(C)c1=O ZINC000004337567 530134077 /nfs/dbraw/zinc/13/40/77/530134077.db2.gz CHOUVBMODUSVBH-UHFFFAOYSA-N -1 0 392.206 0.786 50 0 GCAARM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)nc1 ZINC000584088619 530177574 /nfs/dbraw/zinc/17/75/74/530177574.db2.gz YBNWIDJGAOPPCA-UHFFFAOYSA-N -1 0 384.439 0.232 50 0 GCAARM CNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000656732910 530853679 /nfs/dbraw/zinc/85/36/79/530853679.db2.gz YMLQGVSOPVHYCN-WCQYABFASA-N -1 0 378.472 0.388 50 0 GCAARM O=S(=O)([N-]c1ccncc1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000277168065 530912681 /nfs/dbraw/zinc/91/26/81/530912681.db2.gz UEEJLNQITYHPKN-UHFFFAOYSA-N -1 0 383.451 0.903 50 0 GCAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)cn1C ZINC000031668517 530940330 /nfs/dbraw/zinc/94/03/30/530940330.db2.gz MKVBFINKHPMNAM-UHFFFAOYSA-N -1 0 386.455 0.557 50 0 GCAARM CCOC(=O)C1CCN(C(=O)Cc2csc([N-]S(C)(=O)=O)n2)CC1 ZINC000009421841 530988177 /nfs/dbraw/zinc/98/81/77/530988177.db2.gz ILZCABOQRCXHBV-UHFFFAOYSA-N -1 0 375.472 0.859 50 0 GCAARM O=S(=O)([N-]c1ccccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000095950219 531080497 /nfs/dbraw/zinc/08/04/97/531080497.db2.gz KJXOVYOYPHWMGU-UHFFFAOYSA-N -1 0 383.451 0.903 50 0 GCAARM CC1(C)[C@H](C(=O)[O-])N2C(=O)C(Br)(Br)[C@H]2[S@@]1=O ZINC000001322848 212235991 /nfs/dbraw/zinc/23/59/91/212235991.db2.gz AYTKEKBIWRHMGU-DKTGONNZSA-N -1 0 375.038 0.635 50 0 biogenic GCAARM CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000002384902 209115459 /nfs/dbraw/zinc/11/54/59/209115459.db2.gz AMOCBWNWZULALT-ZDUSSCGKSA-N -1 0 379.438 0.903 50 0 GCAARM CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC(=O)NCC(=O)[O-])ccc12 ZINC000002134571 206292413 /nfs/dbraw/zinc/29/24/13/206292413.db2.gz YRDPMULDSPSFAW-SNVBAGLBSA-N -1 0 376.365 0.440 50 0 biogenic GCAARM CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)NCC(=O)[O-])c12 ZINC000002093285 206398508 /nfs/dbraw/zinc/39/85/08/206398508.db2.gz GCZJZWBLNHVJPU-UHFFFAOYSA-N -1 0 376.365 0.360 50 0 biogenic GCAARM Nn1c(=O)c(CCC(=O)[O-])nnc1SCC(=O)Nc1ccccc1Cl ZINC000005256949 206601970 /nfs/dbraw/zinc/60/19/70/206601970.db2.gz UAAZPYQBLUGAFZ-UHFFFAOYSA-N -1 0 383.817 0.754 50 0 GCAARM COc1cccc(-c2nc3c([nH]c(=O)n3C[C@@H]3CCCO3)c(C(N)=O)n2)c1[O-] ZINC000021932041 207243668 /nfs/dbraw/zinc/24/36/68/207243668.db2.gz XPMDGWOYWPLLFH-VIFPVBQESA-N -1 0 385.380 0.779 50 0 GCAARM NS(=O)(=O)c1cc(F)cc(C(=O)N2CC[C@H](C(=O)[O-])C2)c1Br ZINC000299740813 207649493 /nfs/dbraw/zinc/64/94/93/207649493.db2.gz BWUQQLLZLPQJNU-LURJTMIESA-N -1 0 395.206 0.782 50 0 GCAARM O=C([O-])CCN1CC2(CCN(C(=O)C3CCS(=O)(=O)CC3)CC2)OC1=O ZINC000077457773 208046085 /nfs/dbraw/zinc/04/60/85/208046085.db2.gz GOGIFZHQJBFQFG-UHFFFAOYSA-N -1 0 388.442 0.099 50 0 GCAARM C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)C(=O)[O-] ZINC000080357165 208077788 /nfs/dbraw/zinc/07/77/88/208077788.db2.gz QKSREAAMPXRPOC-ZJUUUORDSA-N -1 0 398.466 0.681 50 0 GCAARM CN(C)C(=O)N1CC[C@H]2CN(C(=O)c3nn(-c4ccccc4)c(=O)cc3[O-])C[C@H]21 ZINC000082097168 208079991 /nfs/dbraw/zinc/07/99/91/208079991.db2.gz BGLUYUVEZGQMES-DZGCQCFKSA-N -1 0 397.435 0.766 50 0 GCAARM O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000091626280 208129347 /nfs/dbraw/zinc/12/93/47/208129347.db2.gz ILTZHDNGKDXSBS-LBPRGKRZSA-N -1 0 377.832 0.849 50 0 GCAARM Cc1cccc(C(=O)N2CCN(CCC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)c1C ZINC000091288869 208115346 /nfs/dbraw/zinc/11/53/46/208115346.db2.gz HPLZTJXUSJRHNG-CVEARBPZSA-N -1 0 380.466 0.702 50 0 GCAARM COc1ccc(CCN2C[C@H](C(=O)NCCc3n[nH]c(=O)[n-]3)CCC2=O)cc1 ZINC000091474060 208121285 /nfs/dbraw/zinc/12/12/85/208121285.db2.gz KKVKTVMRZNQATF-CQSZACIVSA-N -1 0 387.440 0.247 50 0 GCAARM Cn1nnc(-c2ccc(C(=O)N3CCC4(CC3)[C@@H](C(=O)[O-])CC(=O)N4C)cc2)n1 ZINC000095355543 208158775 /nfs/dbraw/zinc/15/87/75/208158775.db2.gz JLSUINYCTRPYTK-CQSZACIVSA-N -1 0 398.423 0.415 50 0 GCAARM CN1C(=O)C[C@H](C(=O)[O-])C12CC[NH+](Cc1cnc3c(C(=O)[O-])cnn3c1)CC2 ZINC000095377895 208170693 /nfs/dbraw/zinc/17/06/93/208170693.db2.gz ALZWKJXIIHACMW-CYBMUJFWSA-N -1 0 387.396 0.325 50 0 GCAARM COC(=O)c1n[nH]c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)n1 ZINC000095466246 208188371 /nfs/dbraw/zinc/18/83/71/208188371.db2.gz OHMCBEUEIWICHU-UHFFFAOYSA-N -1 0 381.292 0.728 50 0 GCAARM Cn1cnc(S(=O)(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)c1 ZINC000095502017 208200531 /nfs/dbraw/zinc/20/05/31/208200531.db2.gz DVSQTUDEUDDEEO-SUMWQHHRSA-N -1 0 377.422 0.747 50 0 GCAARM Cc1ccn2cc(CN3C[C@@H]4CN(S(C)(=O)=O)C[C@]4(C(=O)[O-])C3)nc2c1 ZINC000096141903 208272071 /nfs/dbraw/zinc/27/20/71/208272071.db2.gz MHCUBRJSGZGQAM-CXAGYDPISA-N -1 0 378.454 0.421 50 0 GCAARM Cc1nc2sccc2c(N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)n1 ZINC000096149570 208277681 /nfs/dbraw/zinc/27/76/81/208277681.db2.gz JWXZLUDZNHDINX-MEBBXXQBSA-N -1 0 382.467 0.782 50 0 GCAARM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(F)c2)C1 ZINC000095989903 208252017 /nfs/dbraw/zinc/25/20/17/208252017.db2.gz HJSOHWVFYUOWOJ-GWCFXTLKSA-N -1 0 376.381 0.878 50 0 GCAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)NC)cn1 ZINC000096013495 208252956 /nfs/dbraw/zinc/25/29/56/208252956.db2.gz KYIJDTVRCGKYNM-UHFFFAOYSA-N -1 0 387.487 0.649 50 0 GCAARM O=C(Nc1cc(F)cc2c1NC(=O)CC2)N1CCc2c(=O)n(CCO)[n-]c2C1 ZINC000096180422 208285142 /nfs/dbraw/zinc/28/51/42/208285142.db2.gz OERZCHZLILGFNX-UHFFFAOYSA-N -1 0 389.387 0.783 50 0 GCAARM O=C([O-])[C@H](CO)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000003985178 208514497 /nfs/dbraw/zinc/51/44/97/208514497.db2.gz PWSZFHTYRLIZEO-HOTGVXAUSA-N -1 0 397.387 0.035 50 0 biogenic GCAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2SC1 ZINC000006318084 220928070 /nfs/dbraw/zinc/92/80/70/220928070.db2.gz PQIJLDPZHHQMJA-MLGOLLRUSA-N -1 0 394.380 0.741 50 0 GCAARM CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC000256769855 209045777 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377.426 0.709 50 0 GCAARM Cc1ccc(OCCN2CCN(CC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000077439588 222281629 /nfs/dbraw/zinc/28/16/29/222281629.db2.gz WWJMQCHYULVBEP-DLBZAZTESA-N -1 0 382.482 0.550 50 0 GCAARM Cc1nc(-n2cccn2)cc(N2C[C@H]3C(=O)N(CC4CC4)C[C@@]3(C(=O)[O-])C2)n1 ZINC000077505229 222284976 /nfs/dbraw/zinc/28/49/76/222284976.db2.gz XPFRIVBIRYEDDC-LIRRHRJNSA-N -1 0 382.424 0.730 50 0 GCAARM CCCn1c2ccccc2n(CCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1=O ZINC000095969818 222367157 /nfs/dbraw/zinc/36/71/57/222367157.db2.gz OBDKCIRSTVQVKU-OAHLLOKOSA-N -1 0 388.424 0.405 50 0 GCAARM COc1cccc(CC(=O)N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)c1 ZINC000096180356 222395295 /nfs/dbraw/zinc/39/52/95/222395295.db2.gz POMADMVRPMRLDC-CXAGYDPISA-N -1 0 382.438 0.042 50 0 GCAARM CCOc1ccc(C[C@@H](CNC(=O)[C@H]2CCCN2S(C)(=O)=O)C(=O)[O-])cc1 ZINC000299750557 521013031 /nfs/dbraw/zinc/01/30/31/521013031.db2.gz NWGGNIXRZPLWFK-GOEBONIOSA-N -1 0 398.481 0.869 50 0 GCAARM CCOc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])cc1 ZINC000095376490 528575171 /nfs/dbraw/zinc/57/51/71/528575171.db2.gz SSTNSEUGSVCLOT-AWEZNQCLSA-N -1 0 382.438 0.829 50 0 GCAARM COCCCNC(=O)CN1CCN(c2ccc(NC(C)=O)c(C(=O)[O-])c2)CC1 ZINC000064590021 536568640 /nfs/dbraw/zinc/56/86/40/536568640.db2.gz MOZBLQKUNCZGQY-UHFFFAOYSA-N -1 0 392.456 0.618 50 0 GCAARM COc1ccc(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)n2N)cc1 ZINC000002585096 570291518 /nfs/dbraw/zinc/29/15/18/570291518.db2.gz YPFVACQLVNMMCL-UHFFFAOYSA-N -1 0 379.398 0.109 50 0 GCAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC000003830509 570351099 /nfs/dbraw/zinc/35/10/99/570351099.db2.gz XIURVHNZVLADCM-SWLSCSKDSA-N -1 0 396.446 0.592 50 0 GCAARM CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCC(=O)[O-] ZINC000004792363 570405922 /nfs/dbraw/zinc/40/59/22/570405922.db2.gz NDHFKCIMCJAZTR-CQSZACIVSA-N -1 0 379.413 0.645 50 0 GCAARM CCn1c(=O)[nH]c2cc(C(=O)N[C@@H](C(=O)[O-])[C@@H]3CCCOC3)ccc2c1=O ZINC000262707055 570455403 /nfs/dbraw/zinc/45/54/03/570455403.db2.gz ASLTWVBAVBTEQL-BXUZGUMPSA-N -1 0 375.381 0.732 50 0 GCAARM CS(=O)(=O)N1CCCc2cc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)ccc21 ZINC000268938985 570478937 /nfs/dbraw/zinc/47/89/37/570478937.db2.gz DHHBYZSMKGZOAK-AWEZNQCLSA-N -1 0 382.438 0.715 50 0 GCAARM C[C@@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000006602857 570493337 /nfs/dbraw/zinc/49/33/37/570493337.db2.gz ZEGUMFFADBKMSG-MYBVVQOTSA-N -1 0 379.457 0.398 50 0 GCAARM COc1ccc2cnn(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)c(=O)c2c1OC ZINC000061719416 570502272 /nfs/dbraw/zinc/50/22/72/570502272.db2.gz AQUDGHLBSFAMIA-GFCCVEGCSA-N -1 0 375.381 0.737 50 0 GCAARM Cn1c2nc(SCc3nnn[n-]3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000009546470 570559301 /nfs/dbraw/zinc/55/93/01/570559301.db2.gz VQECGWFDWCAQFP-UHFFFAOYSA-N -1 0 384.425 0.287 50 0 GCAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)C3CCCCC3)[C@@H]2SC1 ZINC000006745221 570564142 /nfs/dbraw/zinc/56/41/42/570564142.db2.gz JRMINOVSGFETCQ-LRDDRELGSA-N -1 0 382.438 0.868 50 0 GCAARM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)[N-]S(=O)(=O)CCC(F)(F)F ZINC000225474248 570578056 /nfs/dbraw/zinc/57/80/56/570578056.db2.gz PYSUFFBFBVAEIR-UHFFFAOYSA-N -1 0 393.343 0.478 50 0 GCAARM NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c2ccccc2O1 ZINC000013265582 570751949 /nfs/dbraw/zinc/75/19/49/570751949.db2.gz DJYLWKZIQBPFBS-CQSZACIVSA-N -1 0 380.353 0.966 50 0 GCAARM O=c1[nH]c([O-])c([C@H]2c3c(ccc4ccccc43)Oc3[nH]c(=O)[nH]c(=O)c32)c(=O)[nH]1 ZINC000004424575 570759652 /nfs/dbraw/zinc/75/96/52/570759652.db2.gz AMBFQKFJAUCEPJ-LLVKDONJSA-N -1 0 392.327 0.997 50 0 GCAARM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000101186923 570816258 /nfs/dbraw/zinc/81/62/58/570816258.db2.gz KPEKLRNGYMRJSF-RISCZKNCSA-N -1 0 379.394 0.375 50 0 GCAARM COc1ccc(OC)c([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2C(C)=O)c1 ZINC000101765909 570830782 /nfs/dbraw/zinc/83/07/82/570830782.db2.gz BGUNAGBYXLNFMZ-CYBMUJFWSA-N -1 0 388.380 0.494 50 0 GCAARM CC(C)NC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NS(C)(=O)=O)CC1 ZINC000033253248 570861469 /nfs/dbraw/zinc/86/14/69/570861469.db2.gz HILBLHZEWIOVOR-UHFFFAOYSA-N -1 0 398.485 0.403 50 0 GCAARM COC(=O)c1cnc(S(=O)(=O)[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)[n-]1 ZINC000170618496 570875485 /nfs/dbraw/zinc/87/54/85/570875485.db2.gz PCONFGGUOXVPJQ-CMPLNLGQSA-N -1 0 393.421 0.999 50 0 GCAARM COC(=O)c1cnc(S(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)[n-]1 ZINC000170618497 570875567 /nfs/dbraw/zinc/87/55/67/570875567.db2.gz PCONFGGUOXVPJQ-ZYHUDNBSSA-N -1 0 393.421 0.999 50 0 GCAARM CCCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)[O-])ccc12 ZINC000002140440 570969522 /nfs/dbraw/zinc/96/95/22/570969522.db2.gz LVQAGLKXWGXUOK-UHFFFAOYSA-N -1 0 390.392 0.831 50 0 biogenic GCAARM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCCC1 ZINC000033330771 570986374 /nfs/dbraw/zinc/98/63/74/570986374.db2.gz KVHZENVMSQZTOE-UHFFFAOYSA-N -1 0 392.437 0.799 50 0 GCAARM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000091390900 571006175 /nfs/dbraw/zinc/00/61/75/571006175.db2.gz SSVOTOJAGIJQCW-UONOGXRCSA-N -1 0 375.356 0.380 50 0 GCAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1ccc(S(C)(=O)=O)cc1)CC2 ZINC000095382513 571068722 /nfs/dbraw/zinc/06/87/22/571068722.db2.gz TXHHWFMAGFHRAG-OAHLLOKOSA-N -1 0 380.466 0.988 50 0 GCAARM Cc1ccc(S(=O)(=O)N2CCN(CCCS(=O)(=O)[O-])CC2)cc1C ZINC000007716014 641890677 /nfs/dbraw/zinc/89/06/77/641890677.db2.gz PVGUIVQFRUWHLZ-UHFFFAOYSA-N -1 0 376.500 0.888 50 0 GCAARM Cc1ccc(N2C[C@H](O)Cn3c2nc2c3c(=O)n(CCC(=O)[O-])c(=O)n2C)cc1 ZINC000195792562 1195629041 /nfs/dbraw/zinc/62/90/41/1195629041.db2.gz MXGZEVXHIXTWNZ-ZDUSSCGKSA-N -1 0 399.407 0.192 50 0 GCAARM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)[C@H]2CCc3ccccc32)CCO1 ZINC000262953148 1197539290 /nfs/dbraw/zinc/53/92/90/1197539290.db2.gz OYYOLIJKBLYAIL-ZBFHGGJFSA-N -1 0 396.465 0.290 50 0 GCAARM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000299742140 1199922107 /nfs/dbraw/zinc/92/21/07/1199922107.db2.gz HCXCGBVJNAEADF-LRDDRELGSA-N -1 0 393.465 0.951 50 0 GCAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000299749821 1199922605 /nfs/dbraw/zinc/92/26/05/1199922605.db2.gz LSWBLPIFBHNYBN-ZDUSSCGKSA-N -1 0 392.437 0.643 50 0 GCAARM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cc(C(F)(F)F)n(C)n3)[C@H]2SC1 ZINC000002783602 1199936916 /nfs/dbraw/zinc/93/69/16/1199936916.db2.gz RCWXWLSUEJWAIA-QPUJVOFHSA-N -1 0 390.343 0.811 50 0 GCAARM O=C(Cn1[n-]c(=O)ccc1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000008012598 1200181989 /nfs/dbraw/zinc/18/19/89/1200181989.db2.gz QQDZZEGBPOFIKO-UHFFFAOYSA-N -1 0 387.421 0.622 50 0 GCAARM COc1ccc(NC(=O)CN2[N-]S(=O)(=O)c3ccccc3C2=O)cc1OC ZINC000008945927 1200300268 /nfs/dbraw/zinc/30/02/68/1200300268.db2.gz NATRAAKZDQLUFC-UHFFFAOYSA-N -1 0 391.405 0.992 50 0 GCAARM Cc1ccc(-c2nc3[nH]c(=O)[nH]c([O-])c-3c2-c2c(N)[nH]c(=O)[nH]c2=O)c(C)c1 ZINC000008990795 1200302618 /nfs/dbraw/zinc/30/26/18/1200302618.db2.gz CIFOBVMOFKWTDD-UHFFFAOYSA-N -1 0 380.364 0.454 50 0 GCAARM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)CCO1 ZINC000681942529 1201943556 /nfs/dbraw/zinc/94/35/56/1201943556.db2.gz MAFWZCXLSMDFIO-HNNXBMFYSA-N -1 0 392.408 0.161 50 0 GCAARM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000647927277 975378652 /nfs/dbraw/zinc/37/86/52/975378652.db2.gz HZCUCGKJYSKVJA-INIZCTEOSA-N -1 0 386.401 0.965 50 0 GCAARM CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000268935069 530154956 /nfs/dbraw/zinc/15/49/56/530154956.db2.gz BLBVKNYJDSAZSB-VIFPVBQESA-N -1 0 376.818 0.564 50 0 GCAARM Cc1nc(NC(=O)CSc2n[nH]c(=O)[n-]c2=O)sc1C(=O)OC(C)C ZINC000008997717 530125060 /nfs/dbraw/zinc/12/50/60/530125060.db2.gz FVVRSFPGNPIFIX-UHFFFAOYSA-N -1 0 385.427 0.519 50 0 GCAARM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(Br)cc1 ZINC000643430871 530697416 /nfs/dbraw/zinc/69/74/16/530697416.db2.gz LUSGUKZYECHEGG-LLVKDONJSA-N -1 0 376.228 0.702 50 0 GCAARM CN(C)S(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000575616037 530828177 /nfs/dbraw/zinc/82/81/77/530828177.db2.gz NZHPSQYCDKKYDZ-UHFFFAOYSA-N -1 0 397.469 0.762 50 0 GCAARM O=C([O-])CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 ZINC000008843952 530970231 /nfs/dbraw/zinc/97/02/31/530970231.db2.gz JNRVASCFZBXIQL-UHFFFAOYSA-N -1 0 385.423 0.934 50 0 GCAARM CC(C)(O)CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000097165307 531056464 /nfs/dbraw/zinc/05/64/64/531056464.db2.gz BCPGSQQQAUYQFE-UHFFFAOYSA-N -1 0 385.467 0.932 50 0 GCAARM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2c[nH]nc2-c2nccs2)c1 ZINC000446972479 531143795 /nfs/dbraw/zinc/14/37/95/531143795.db2.gz MTIVDLHIHWPWBW-UHFFFAOYSA-N -1 0 385.452 0.981 50 0 GCAARM CC1(C)[C@@H](C(=O)[O-])N2C(=O)C(Br)(Br)[C@H]2[S@@]1=O ZINC000001322846 212235387 /nfs/dbraw/zinc/23/53/87/212235387.db2.gz AYTKEKBIWRHMGU-VTWXNPLLSA-N -1 0 375.038 0.635 50 0 biogenic GCAARM Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c(Cl)cc12 ZINC000095921675 212154152 /nfs/dbraw/zinc/15/41/52/212154152.db2.gz XDHZEATXDFGBFI-JHZZJYKESA-N -1 0 386.740 0.026 50 0 in-vitro GCAARM Cc1c(O)ccc2c(C)c(CCC(=O)NCC(=O)NCC(=O)[O-])c(=O)oc12 ZINC000002157050 212145214 /nfs/dbraw/zinc/14/52/14/212145214.db2.gz LKODZTQYHDBBBL-UHFFFAOYSA-N -1 0 376.365 0.365 50 0 biogenic GCAARM CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000328594823 212082530 /nfs/dbraw/zinc/08/25/30/212082530.db2.gz CHPNFVKJVCUPMX-UHFFFAOYSA-N -1 0 390.845 0.954 50 0 GCAARM Cc1cc(O[C@@H](C)C(=O)NCC(=O)NCC(=O)[O-])c2c(C)c(C)c(=O)oc2c1 ZINC000002097997 206398236 /nfs/dbraw/zinc/39/82/36/206398236.db2.gz INISDAFCPAHIRD-LBPRGKRZSA-N -1 0 390.392 0.803 50 0 biogenic GCAARM O=C([O-])CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1 ZINC000012137200 206861000 /nfs/dbraw/zinc/86/10/00/206861000.db2.gz NIZRZGBEEUPSAH-OAHLLOKOSA-N -1 0 392.408 0.581 50 0 GCAARM CC(NCCCN1CCOCC1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000020266940 207186136 /nfs/dbraw/zinc/18/61/36/207186136.db2.gz NWOCEVWJALAVCE-BMRADRMJSA-N -1 0 386.452 0.851 50 0 GCAARM NC(=O)c1c(SCC(=O)Nc2nncs2)sc2c1[nH]c(=O)cc2[O-] ZINC000044889807 207640743 /nfs/dbraw/zinc/64/07/43/207640743.db2.gz CJXVRXGZTAHPDH-UHFFFAOYSA-N -1 0 383.436 0.976 50 0 GCAARM COc1ccccc1NC(=O)N1CCN(CC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000077505099 208047158 /nfs/dbraw/zinc/04/71/58/208047158.db2.gz MWMIDWSVNLRESU-OLZOCXBDSA-N -1 0 383.426 0.095 50 0 GCAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CC[NH+](Cc1cnc3c(C(=O)[O-])cnn3c1)CC2 ZINC000095377896 208169730 /nfs/dbraw/zinc/16/97/30/208169730.db2.gz ALZWKJXIIHACMW-ZDUSSCGKSA-N -1 0 387.396 0.325 50 0 GCAARM CS(=O)(=O)NCCC(=O)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)[O-])C1 ZINC000095387245 208176239 /nfs/dbraw/zinc/17/62/39/208176239.db2.gz JWFCUWTZFWLECO-SUMWQHHRSA-N -1 0 382.438 0.090 50 0 GCAARM CCCn1ncc(C(=O)N2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)[O-])C2)c1C ZINC000097635006 208359360 /nfs/dbraw/zinc/35/93/60/208359360.db2.gz CKJPJSYQRKSCIQ-UGSOOPFHSA-N -1 0 377.445 0.742 50 0 GCAARM COC(=O)c1[n-]n(N=O)c2c(O)n(-c3cccc(Br)c3)c(=O)c1-2 ZINC000101014132 208384446 /nfs/dbraw/zinc/38/44/46/208384446.db2.gz GWZKVOFSEDYVEX-SCZZXKLOSA-N -1 0 381.142 0.833 50 0 GCAARM O=C([O-])c1cccc(S(=O)(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)c1 ZINC000220111767 208858120 /nfs/dbraw/zinc/85/81/20/208858120.db2.gz KMHNWKWWONZFRR-HNNXBMFYSA-N -1 0 381.410 0.202 50 0 GCAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])ccc12 ZINC000002105747 220503375 /nfs/dbraw/zinc/50/33/75/220503375.db2.gz SWQOMUYOMRJXQY-ZDUSSCGKSA-N -1 0 391.380 0.498 50 0 biogenic GCAARM COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC2=O)cc1 ZINC000004084383 220678170 /nfs/dbraw/zinc/67/81/70/220678170.db2.gz YFEZOAPEIMTQOE-SDDRHHMPSA-N -1 0 377.397 0.142 50 0 biogenic GCAARM CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC000244840275 209023232 /nfs/dbraw/zinc/02/32/32/209023232.db2.gz UKGCXULVGSCLRQ-BETUJISGSA-N -1 0 382.424 0.945 50 0 GCAARM COc1ccc(OC)c(S(=O)(=O)[N-]NC(=S)NC[C@H]2CCCO2)c1 ZINC000007066930 220985002 /nfs/dbraw/zinc/98/50/02/220985002.db2.gz HNQICJTTXYPTTJ-LLVKDONJSA-N -1 0 375.472 0.540 50 0 GCAARM Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCCC(=O)[O-])cc2oc1=O ZINC000012296512 221176000 /nfs/dbraw/zinc/17/60/00/221176000.db2.gz NTEWGLXRBFBJTO-UHFFFAOYSA-N -1 0 376.365 0.496 50 0 biogenic GCAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000013249534 221264119 /nfs/dbraw/zinc/26/41/19/221264119.db2.gz YSDDFXHRKCVTDU-WHWKNOJMSA-N -1 0 394.449 0.796 50 0 GCAARM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1 ZINC000016129088 221357712 /nfs/dbraw/zinc/35/77/12/221357712.db2.gz BMKZLARBENVUAN-UHFFFAOYSA-N -1 0 383.451 0.837 50 0 GCAARM Nc1nc(SCC(=O)NC[C@H]2CCCO2)[n-]c(=O)c1NC(=O)c1ccco1 ZINC000018043140 221385914 /nfs/dbraw/zinc/38/59/14/221385914.db2.gz TVZSPDHTNSUHEK-SECBINFHSA-N -1 0 393.425 0.585 50 0 GCAARM O=C([O-])[C@@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CCO1 ZINC000299747338 132424503 /nfs/dbraw/zinc/42/45/03/132424503.db2.gz CQZOBBQUTBUQGC-LBPRGKRZSA-N -1 0 399.197 0.487 50 0 GCAARM O=C([O-])CNC(=O)CNC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O ZINC000049547233 222001037 /nfs/dbraw/zinc/00/10/37/222001037.db2.gz SHGYEEBSNKGTLA-UHFFFAOYSA-N -1 0 394.387 0.381 50 0 GCAARM CC(C)Cn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@H](C)N1CCN(C)CC1)C2 ZINC000067515524 222147991 /nfs/dbraw/zinc/14/79/91/222147991.db2.gz UDIMTAGMWGCJNL-AWEZNQCLSA-N -1 0 377.489 0.758 50 0 GCAARM Cn1c(C(=O)[O-])ccc1S(=O)(=O)N1CCC2(C[C@H](C(=O)[O-])[N@H+](C)C2)CC1 ZINC000072165101 222215372 /nfs/dbraw/zinc/21/53/72/222215372.db2.gz NOEGFMJFSPGULC-GFCCVEGCSA-N -1 0 385.442 0.283 50 0 GCAARM Cc1ccc(F)c(S(=O)(=O)[N-]c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000095964620 222365959 /nfs/dbraw/zinc/36/59/59/222365959.db2.gz GWBRIFZXVMVBQN-UHFFFAOYSA-N -1 0 378.385 0.881 50 0 GCAARM CC(=O)NCc1cc2n(n1)CCN(C(=O)c1cc(=O)n(-c3ccccc3)[n-]1)C2 ZINC000426730430 526796930 /nfs/dbraw/zinc/79/69/30/526796930.db2.gz PDPGSDKTWFDWPO-UHFFFAOYSA-N -1 0 380.408 0.654 50 0 GCAARM CC(C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cccnc1 ZINC000408521772 527352671 /nfs/dbraw/zinc/35/26/71/527352671.db2.gz XJLUWMFHNYHRPC-UHFFFAOYSA-N -1 0 385.467 0.932 50 0 GCAARM COc1cccc(CC(=O)N2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)[O-])C2)c1 ZINC000096140609 570213123 /nfs/dbraw/zinc/21/31/23/570213123.db2.gz NNFWLAHBJZQSFZ-LIRRHRJNSA-N -1 0 375.425 0.764 50 0 GCAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000020426253 570255277 /nfs/dbraw/zinc/25/52/77/570255277.db2.gz TUEVYKDSDLPVBB-MRXNPFEDSA-N -1 0 379.372 0.728 50 0 GCAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cccc(F)c3)[C@H]2SC1 ZINC000006186336 570317361 /nfs/dbraw/zinc/31/73/61/570317361.db2.gz XYZUIXSBIOPTBW-BLLLJJGKSA-N -1 0 394.380 0.741 50 0 GCAARM O=C(CCc1nnc(-c2ccc(F)c(F)c2)[n-]c1=O)NCCN1CCOCC1 ZINC000034768351 570333524 /nfs/dbraw/zinc/33/35/24/570333524.db2.gz SKOYXAINXWSFLP-UHFFFAOYSA-N -1 0 393.394 0.903 50 0 GCAARM Cn1c2ccc(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2[nH]c(=O)c1=O ZINC000218416270 570333657 /nfs/dbraw/zinc/33/36/57/570333657.db2.gz AWIICYZPZWYGBH-INIZCTEOSA-N -1 0 395.415 0.972 50 0 GCAARM O=C([O-])CC[C@@]1(CCC(=O)N2CCCN(c3ncccn3)CC2)CCC(=O)N1 ZINC000219693792 570373193 /nfs/dbraw/zinc/37/31/93/570373193.db2.gz YUYNZWBCFWJZMD-IBGZPJMESA-N -1 0 389.456 0.809 50 0 GCAARM Cn1ccnc1CN1CCN(C(=O)CC[C@@]2(CCC(=O)[O-])CCC(=O)N2)CC1 ZINC000223167742 570447651 /nfs/dbraw/zinc/44/76/51/570447651.db2.gz LVTRNAUPQHXUEJ-LJQANCHMSA-N -1 0 391.472 0.358 50 0 GCAARM COC(CNC(=O)CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)OC ZINC000002975300 570524758 /nfs/dbraw/zinc/52/47/58/570524758.db2.gz GVARHEWFFGGQST-UHFFFAOYSA-N -1 0 381.410 0.913 50 0 GCAARM CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000005244242 570526599 /nfs/dbraw/zinc/52/65/99/570526599.db2.gz AZUSAZXAAQMOCP-MKBNYLNASA-N -1 0 393.415 0.909 50 0 GCAARM CN1C(=O)[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@H]32)C1=O ZINC000229988290 570667860 /nfs/dbraw/zinc/66/78/60/570667860.db2.gz OVKWEUHSOOQLRA-RNODOKPDSA-N -1 0 395.419 0.899 50 0 GCAARM Cc1c(C)[n+]([O-])c([C@H](c2c([O-])[nH]c(=O)[nH]c2=O)[C@H]2CC=CCC2)n1CCO ZINC000524734547 570771933 /nfs/dbraw/zinc/77/19/33/570771933.db2.gz PTQODJUXHYLWLY-STQMWFEESA-N -1 0 376.413 0.153 50 0 GCAARM CN(C)S(=O)(=O)N1CCN(Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)CC1 ZINC000067742248 570789687 /nfs/dbraw/zinc/78/96/87/570789687.db2.gz CYEGQNCCCBIZLW-UHFFFAOYSA-N -1 0 395.441 0.359 50 0 GCAARM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000101186930 570816223 /nfs/dbraw/zinc/81/62/23/570816223.db2.gz KPEKLRNGYMRJSF-FZMZJTMJSA-N -1 0 379.394 0.375 50 0 GCAARM C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)c1nc(N)nc(N(C)C)n1 ZINC000012541842 570842475 /nfs/dbraw/zinc/84/24/75/570842475.db2.gz AIUUEWJQORLUTG-SECBINFHSA-N -1 0 380.430 0.809 50 0 GCAARM CCCNC(=O)CN1CCN(c2ccc(NS(C)(=O)=O)cc2C(=O)[O-])CC1 ZINC000033253172 570861227 /nfs/dbraw/zinc/86/12/27/570861227.db2.gz DBOSEJPRDATSCP-UHFFFAOYSA-N -1 0 398.485 0.405 50 0 GCAARM CCCNC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NS(C)(=O)=O)CC1 ZINC000033253272 570861538 /nfs/dbraw/zinc/86/15/38/570861538.db2.gz JVOUTKJGNXZXLK-UHFFFAOYSA-N -1 0 398.485 0.405 50 0 GCAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCC(=O)NCC(=O)[O-])c(C)c2oc1=O ZINC000002102327 570942080 /nfs/dbraw/zinc/94/20/80/570942080.db2.gz BIGXQGDWGCXSIM-LBPRGKRZSA-N -1 0 390.392 0.803 50 0 biogenic GCAARM CC(C)[C@H](NC(=O)CNC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)[O-] ZINC000002121165 570955971 /nfs/dbraw/zinc/95/59/71/570955971.db2.gz HAJNTYBQBCQKOX-KRWDZBQOSA-N -1 0 376.365 0.513 50 0 biogenic GCAARM CCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)[O-])ccc12 ZINC000002146650 570971585 /nfs/dbraw/zinc/97/15/85/570971585.db2.gz RPJHLBJYTWPBPT-UHFFFAOYSA-N -1 0 376.365 0.360 50 0 biogenic GCAARM Nc1[nH]c(=O)[nH]c(=O)c1-c1c(-c2ccc(Cl)cc2)nc2[nH]c(=O)[nH]c([O-])c1-2 ZINC000004772356 570976380 /nfs/dbraw/zinc/97/63/80/570976380.db2.gz QCZCEMBGYWMSGG-UHFFFAOYSA-N -1 0 386.755 0.491 50 0 GCAARM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccccc1C(=O)NC(C)(C)C ZINC000033330784 570986369 /nfs/dbraw/zinc/98/63/69/570986369.db2.gz FHUGISGNOLYGEC-UHFFFAOYSA-N -1 0 380.426 0.701 50 0 GCAARM CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000003013799 570991236 /nfs/dbraw/zinc/99/12/36/570991236.db2.gz AMOCBWNWZULALT-CYBMUJFWSA-N -1 0 379.438 0.903 50 0 GCAARM O=C([O-])c1cccc([C@H]2CCCN(S(=O)(=O)c3c[nH]c(=O)[nH]c3=O)C2)c1 ZINC000095352284 571050259 /nfs/dbraw/zinc/05/02/59/571050259.db2.gz WUSBFARJAPRASH-LBPRGKRZSA-N -1 0 379.394 0.330 50 0 GCAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1 ZINC000299742100 602029402 /nfs/dbraw/zinc/02/94/02/602029402.db2.gz GVRWKPQWQXDMKL-QGZVFWFLSA-N -1 0 378.406 0.930 50 0 GCAARM COC(=O)c1cn([C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)[O-])cc2c(=O)[nH]nc1-2 ZINC000888090009 1192350760 /nfs/dbraw/zinc/35/07/60/1192350760.db2.gz VUMLHMHDBDRPRN-GIPNMCIBSA-N -1 0 392.393 0.563 50 0 GCAARM CC(=O)NC[C@H]1CN(C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C)cc2)CCO1 ZINC000299746821 1199922404 /nfs/dbraw/zinc/92/24/04/1199922404.db2.gz BGPVRECNUQSVSD-INIZCTEOSA-N -1 0 386.408 0.856 50 0 GCAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1cn(C)nc1C(=O)NCc1ccco1 ZINC000002804838 1199937552 /nfs/dbraw/zinc/93/75/52/1199937552.db2.gz DIWGKSRPFHVACU-UHFFFAOYSA-N -1 0 378.414 0.786 50 0 GCAARM Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000002928565 1199947310 /nfs/dbraw/zinc/94/73/10/1199947310.db2.gz PVIHQOIKJGUMQK-UHFFFAOYSA-N -1 0 389.389 0.805 50 0 GCAARM COCCNC(=O)CSc1nc(N)c(NC(=O)c2ccccc2)c(=O)[n-]1 ZINC000004248880 1200160467 /nfs/dbraw/zinc/16/04/67/1200160467.db2.gz CQSURUZHVDOVKX-UHFFFAOYSA-N -1 0 377.426 0.459 50 0 GCAARM COc1cc([C@@H]2CC(=C3C(=O)[N-]C(=O)N(C)C3=O)NN2)cc(OC)c1OC ZINC000008971046 1200302302 /nfs/dbraw/zinc/30/23/02/1200302302.db2.gz FHOSRNJYSKYHSV-FWSONLODSA-N -1 0 376.369 0.418 50 0 GCAARM CN1C(=O)[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@@H]32)C1=O ZINC000009359993 1200377356 /nfs/dbraw/zinc/37/73/56/1200377356.db2.gz OVKWEUHSOOQLRA-ZUOKHONESA-N -1 0 395.419 0.694 50 0 GCAARM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])nn1-c1ccc(C)cc1 ZINC000643433307 953908404 /nfs/dbraw/zinc/90/84/04/953908404.db2.gz XQMVCVWDBFWRPF-HNNXBMFYSA-N -1 0 377.422 0.813 50 0 GCAARM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)NCC3(CF)CCOCC3)CC2)C1 ZINC000652096563 968622545 /nfs/dbraw/zinc/62/25/45/968622545.db2.gz KGQKXPDMFZGQLK-ZDUSSCGKSA-N -1 0 385.436 0.860 50 0 GCAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)CCO1 ZINC000566662684 974619174 /nfs/dbraw/zinc/61/91/74/974619174.db2.gz BCIVLXIPXDOPBO-XHDPSFHLSA-N -1 0 389.401 0.715 50 0 GCAARM O=C([O-])c1ccnc(-c2ccc(C(=O)N3CCN4CCNC(=O)[C@H]4C3)cc2)c1 ZINC000426372523 231209383 /nfs/dbraw/zinc/20/93/83/231209383.db2.gz VJSVSQBEFUGMPN-QGZVFWFLSA-N -1 0 380.404 0.703 50 0 GCAARM N=c1nn[n-]n1CC(=O)N1CC[C@]2(C1)CCCN(CCC1CCCCC1)C2=O 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CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1sc2c(c1C(=O)[O-])CC[NH2+]C2 ZINC000067880720 222165593 /nfs/dbraw/zinc/16/55/93/222165593.db2.gz ZOZAVUKNDMLXKA-VIFPVBQESA-N -1 0 376.456 0.870 50 0 GCAARM COCC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000096998710 222433964 /nfs/dbraw/zinc/43/39/64/222433964.db2.gz SIUMVSLWRGEUAO-UHFFFAOYSA-N -1 0 376.818 0.518 50 0 GCAARM CC(C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000408521748 527351887 /nfs/dbraw/zinc/35/18/87/527351887.db2.gz STCMNAWWKOAFNQ-UHFFFAOYSA-N -1 0 385.467 0.932 50 0 GCAARM COc1cc2nc(O)c(C(=O)NCCN3CCOCC3)c([O-])c2cc1OC ZINC000019999174 570234603 /nfs/dbraw/zinc/23/46/03/570234603.db2.gz SABYNYZSCJUDPD-UHFFFAOYSA-N -1 0 377.397 0.313 50 0 GCAARM CCC(NCCN1CCOCC1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000020290377 570251133 /nfs/dbraw/zinc/25/11/33/570251133.db2.gz FNNVZOHSXNKIAX-FOCLMDBBSA-N -1 0 378.473 0.983 50 0 GCAARM CC(C)[C@H](NC(=O)[C@H]([NH3+])CCC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004545847 570383455 /nfs/dbraw/zinc/38/34/55/570383455.db2.gz FVGOGEGGQLNZGH-YCPHGPKFSA-N -1 0 393.440 0.131 50 0 GCAARM O=C(NCCc1n[nH]c(=O)[n-]1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000220192437 570383516 /nfs/dbraw/zinc/38/35/16/570383516.db2.gz FAAOUJVXTJWODI-UHFFFAOYSA-N -1 0 377.832 0.963 50 0 GCAARM O=C([O-])CNC(=O)CNC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O ZINC000061719965 570502703 /nfs/dbraw/zinc/50/27/03/570502703.db2.gz JVJPPILXSZWBJS-UHFFFAOYSA-N -1 0 394.387 0.381 50 0 GCAARM CC[C@@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCC(=O)[O-] ZINC000006659084 570522853 /nfs/dbraw/zinc/52/28/53/570522853.db2.gz XXGLEDWUWLKZKI-PEBVRCNWSA-N -1 0 393.415 0.910 50 0 GCAARM CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCC(=O)[O-] ZINC000006659021 570522861 /nfs/dbraw/zinc/52/28/61/570522861.db2.gz WNQBCCHFIICLDQ-DOMZBBRYSA-N -1 0 393.415 0.910 50 0 GCAARM Cc1ccc(C)c(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)n2N)c1 ZINC000005256951 570527322 /nfs/dbraw/zinc/52/73/22/570527322.db2.gz RREAEDNUFNZGEI-UHFFFAOYSA-N -1 0 377.426 0.717 50 0 GCAARM CCOc1ccc(N2CCn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1 ZINC000005251947 570529111 /nfs/dbraw/zinc/52/91/11/570529111.db2.gz GXBNYSXSPOOHGX-UHFFFAOYSA-N -1 0 385.380 0.532 50 0 GCAARM Cn1c2nc(SCC(=O)[O-])n(Cc3ccccc3)c2c(=O)n(CCO)c1=O ZINC000003211997 570539339 /nfs/dbraw/zinc/53/93/39/570539339.db2.gz VPNKWPRNLWZLHK-UHFFFAOYSA-N -1 0 390.421 0.114 50 0 GCAARM COc1ccc(CCn2c(-n3[n-]c(C)cc3=O)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000005461773 570602345 /nfs/dbraw/zinc/60/23/45/570602345.db2.gz XYTCCUMXWCXTDH-UHFFFAOYSA-N -1 0 396.407 0.787 50 0 GCAARM O=C([O-])COc1ccccc1/C=N/NC(=O)CNC(=O)COc1ccccc1 ZINC000001878291 570637598 /nfs/dbraw/zinc/63/75/98/570637598.db2.gz IFZWCFULVVEBGB-UFFVCSGVSA-N -1 0 385.376 0.795 50 0 GCAARM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000101186932 570816240 /nfs/dbraw/zinc/81/62/40/570816240.db2.gz KPEKLRNGYMRJSF-SMDDNHRTSA-N -1 0 379.394 0.375 50 0 GCAARM CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)[O-])C(C)(C)S1 ZINC000071769340 570852089 /nfs/dbraw/zinc/85/20/89/570852089.db2.gz QLMXTBBDEDJJSY-IJEWVQPXSA-N -1 0 379.482 0.744 50 0 GCAARM CCn1c(=O)c2ccc(C(=O)N3CCN(C[C@@H](C)O)CC3)cc2[n-]c1=S ZINC000170602438 570860971 /nfs/dbraw/zinc/86/09/71/570860971.db2.gz LGSDJDGLGZWSAX-GFCCVEGCSA-N -1 0 376.482 0.844 50 0 GCAARM COC(=O)c1cnc(S(=O)(=O)[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)[n-]1 ZINC000170618498 570875501 /nfs/dbraw/zinc/87/55/01/570875501.db2.gz PCONFGGUOXVPJQ-JQWIXIFHSA-N -1 0 393.421 0.999 50 0 GCAARM CC(C)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004025664 570904093 /nfs/dbraw/zinc/90/40/93/570904093.db2.gz CZUIZHWORLDXSN-DZGCQCFKSA-N -1 0 379.413 0.772 50 0 biogenic GCAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-] ZINC000002100859 570942288 /nfs/dbraw/zinc/94/22/88/570942288.db2.gz DLSPEGRJURWCRI-ZDUSSCGKSA-N -1 0 391.380 0.367 50 0 biogenic GCAARM CCC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000091650490 571022744 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0 387.458 0.588 50 0 GCAARM O=C([O-])[C@@]12CN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C[C@@H]1COCC2 ZINC001772707332 1187644518 /nfs/dbraw/zinc/64/45/18/1187644518.db2.gz YGMHPBXGRDUWCX-PXAZEXFGSA-N -1 0 380.422 0.683 50 0 GCAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000299749820 1199922413 /nfs/dbraw/zinc/92/24/13/1199922413.db2.gz LSWBLPIFBHNYBN-CYBMUJFWSA-N -1 0 392.437 0.643 50 0 GCAARM Cn1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)ccc1=O ZINC000002632926 1199931692 /nfs/dbraw/zinc/93/16/92/1199931692.db2.gz UIMZLDINXJBPFM-UHFFFAOYSA-N -1 0 386.393 0.623 50 0 GCAARM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)CCO1 ZINC000572410059 1201707303 /nfs/dbraw/zinc/70/73/03/1201707303.db2.gz MGXZHKXSRTUWCW-LBPRGKRZSA-N -1 0 398.428 0.386 50 0 GCAARM N=c1nn[n-]n1CC(=O)N1CCC[C@H](CNC(=O)Cn2ccc3ccccc32)C1 ZINC000827860976 1201710066 /nfs/dbraw/zinc/71/00/66/1201710066.db2.gz VJHLBOOBEVNUAI-CQSZACIVSA-N -1 0 396.455 0.095 50 0 GCAARM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])nn1-c1ccc(C)cc1 ZINC000643433308 953909086 /nfs/dbraw/zinc/90/90/86/953909086.db2.gz XQMVCVWDBFWRPF-OAHLLOKOSA-N -1 0 377.422 0.813 50 0 GCAARM COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000647927278 975378166 /nfs/dbraw/zinc/37/81/66/975378166.db2.gz HZCUCGKJYSKVJA-MRXNPFEDSA-N -1 0 386.401 0.965 50 0 GCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CCO1 ZINC000408513543 231048265 /nfs/dbraw/zinc/04/82/65/231048265.db2.gz WRQIWDNYOFYILU-ZDUSSCGKSA-N -1 0 388.829 0.806 50 0 GCAARM O=C([O-])c1ccnc(-c2ccc(C(=O)N3CCN4CCNC(=O)[C@@H]4C3)cc2)c1 ZINC000426372522 231209325 /nfs/dbraw/zinc/20/93/25/231209325.db2.gz VJSVSQBEFUGMPN-KRWDZBQOSA-N -1 0 380.404 0.703 50 0 GCAARM COCC(=O)N1C[C@@H]2CN(C(=O)c3csc(C(C)C)n3)C[C@]2(C(=O)[O-])C1 ZINC000426612471 231246521 /nfs/dbraw/zinc/24/65/21/231246521.db2.gz DBNOLIDYYFDZOY-PIGZYNQJSA-N -1 0 381.454 0.898 50 0 GCAARM CCOC(=O)c1cnc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)n1C ZINC000556801800 530230736 /nfs/dbraw/zinc/23/07/36/530230736.db2.gz BJANKPWYMPWNID-UHFFFAOYSA-N -1 0 388.427 0.045 50 0 GCAARM O=C([O-])CN1CCN(Cc2ccc(F)c(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077286487 530219992 /nfs/dbraw/zinc/21/99/92/530219992.db2.gz JWERBQAQJAJTCV-UONOGXRCSA-N -1 0 376.837 0.847 50 0 GCAARM C[C@@H](SCC(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000005413458 530311064 /nfs/dbraw/zinc/31/10/64/530311064.db2.gz RBPQMQUWMOUKKK-LLVKDONJSA-N -1 0 388.467 0.852 50 0 GCAARM O=C([O-])CCOCCOCCOCCOCCNC(=O)CBr ZINC000114869758 530919133 /nfs/dbraw/zinc/91/91/33/530919133.db2.gz LMFYGPXSVUULRZ-UHFFFAOYSA-N -1 0 386.239 0.039 50 0 GCAARM O=C([O-])CNC(=O)C[C@@H](CNC(=O)[C@@H]1CSCN1)c1ccc(Cl)cc1 ZINC000008738065 530965880 /nfs/dbraw/zinc/96/58/80/530965880.db2.gz BIJZKTBZOFMMTH-AAEUAGOBSA-N -1 0 385.873 0.793 50 0 biogenic GCAARM CS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1Br ZINC000521365995 531022885 /nfs/dbraw/zinc/02/28/85/531022885.db2.gz JXVSWNSOSQTBIF-SNVBAGLBSA-N -1 0 392.227 0.778 50 0 GCAARM O=C(NC1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1)c1ccc[nH]c1=O ZINC000438615957 531154129 /nfs/dbraw/zinc/15/41/29/531154129.db2.gz AHLKVNXNYBMAPX-UHFFFAOYSA-N -1 0 382.364 0.378 50 0 GCAARM O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 ZINC000000705008 206318389 /nfs/dbraw/zinc/31/83/89/206318389.db2.gz TYZAROBTKWYEHS-OAHLLOKOSA-N -1 0 381.392 0.629 50 0 GCAARM CSCC[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000002126235 206399467 /nfs/dbraw/zinc/39/94/67/206399467.db2.gz BRHOSTJKUCXEGM-ZDUSSCGKSA-N -1 0 379.438 0.793 50 0 biogenic GCAARM CSCC[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004762558 206553366 /nfs/dbraw/zinc/55/33/66/206553366.db2.gz VLJOWOASNQUTGI-ZDUSSCGKSA-N -1 0 397.453 0.352 50 0 GCAARM CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000005244237 206601695 /nfs/dbraw/zinc/60/16/95/206601695.db2.gz AZUSAZXAAQMOCP-OZVIIMIRSA-N -1 0 393.415 0.909 50 0 GCAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006156828 206642311 /nfs/dbraw/zinc/64/23/11/206642311.db2.gz KSDBIBJBAKLXSX-UHFFFAOYSA-N -1 0 392.393 0.448 50 0 GCAARM Cn1c2nc(N3CCC(Cc4ccccc4)CC3)n(CC(=O)[O-])c2c(=O)[nH]c1=O ZINC000012443284 206900222 /nfs/dbraw/zinc/90/02/22/206900222.db2.gz QARBDWRSIPIJAN-UHFFFAOYSA-N -1 0 397.435 0.967 50 0 GCAARM Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C(=O)[O-])cnn3C)CC2)cc1 ZINC000020614655 207207476 /nfs/dbraw/zinc/20/74/76/207207476.db2.gz RDMBOCJWSIPUBW-UHFFFAOYSA-N -1 0 392.437 0.573 50 0 GCAARM O=C([O-])c1cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)ccc1O ZINC000021174299 207228926 /nfs/dbraw/zinc/22/89/26/207228926.db2.gz OSHCRQDWYIJKSA-UHFFFAOYSA-N -1 0 376.346 0.874 50 0 GCAARM O=C([O-])CC[C@@H]1CN(S(=O)(=O)c2cccnc2)CC[C@@H]1N1CCOCC1 ZINC000091390978 208117847 /nfs/dbraw/zinc/11/78/47/208117847.db2.gz WOZRPWDWSFZQBL-ZBFHGGJFSA-N -1 0 383.470 0.658 50 0 GCAARM O=C(NCCc1n[nH]c(=O)[n-]1)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000092081807 208149069 /nfs/dbraw/zinc/14/90/69/208149069.db2.gz VKCMMSUIHBTQBL-GFCCVEGCSA-N -1 0 377.832 0.849 50 0 GCAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000095947181 208242539 /nfs/dbraw/zinc/24/25/39/208242539.db2.gz UYSKPAPQCHXYKY-AWEZNQCLSA-N -1 0 375.406 0.296 50 0 GCAARM C[C@@H](CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnn[n-]1 ZINC000095942112 208239507 /nfs/dbraw/zinc/23/95/07/208239507.db2.gz FFLQIYZPVLAPBV-ZDUSSCGKSA-N -1 0 392.485 0.837 50 0 GCAARM Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@H](CC(=O)[O-])C2)c(C)c1 ZINC000095970720 208248916 /nfs/dbraw/zinc/24/89/16/208248916.db2.gz JDJVCRAOIHLBIK-CQSZACIVSA-N -1 0 384.454 0.674 50 0 GCAARM CC(=O)N1C[C@H]2CN(S(=O)(=O)N(C)Cc3ccccc3)C[C@@]2(C(=O)[O-])C1 ZINC000096132059 208266187 /nfs/dbraw/zinc/26/61/87/208266187.db2.gz KJCSVPAHTQMLSW-RDJZCZTQSA-N -1 0 381.454 0.228 50 0 GCAARM C[C@@]1(c2cccc([N-]S(=O)(=O)c3cnc4n3CCC4)c2)NC(=O)NC1=O ZINC000097165069 208341604 /nfs/dbraw/zinc/34/16/04/208341604.db2.gz OKASWVLFQGVRGI-INIZCTEOSA-N -1 0 375.410 0.685 50 0 GCAARM COc1ccc2c(C)c(CCC(=O)NCC(=O)NCC(=O)[O-])c(=O)oc2c1C ZINC000002157495 220506181 /nfs/dbraw/zinc/50/61/81/220506181.db2.gz PIUMQQNFLDXJQB-UHFFFAOYSA-N -1 0 390.392 0.668 50 0 biogenic GCAARM O=C([O-])[C@@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000225486667 208954626 /nfs/dbraw/zinc/95/46/26/208954626.db2.gz NKJLOMHSOXEHKC-AWEZNQCLSA-N -1 0 383.426 0.788 50 0 GCAARM Cc1cc(=NC(=O)C[C@@H]2NC(=O)c3ccccc32)n([C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159158 209095331 /nfs/dbraw/zinc/09/53/31/209095331.db2.gz IXFWGCOYNVXCTQ-DOMZBBRYSA-N -1 0 388.449 0.786 50 0 GCAARM COc1ccc(Cl)cc1Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)[O-] ZINC000012443267 221195613 /nfs/dbraw/zinc/19/56/13/221195613.db2.gz BURCERLDYUSCNW-UHFFFAOYSA-N -1 0 393.787 0.924 50 0 GCAARM C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)[O-] ZINC000012761743 221228493 /nfs/dbraw/zinc/22/84/93/221228493.db2.gz BPPIBGNYRRHLDE-RNCFNFMXSA-N -1 0 390.845 0.688 50 0 GCAARM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000012923957 221246713 /nfs/dbraw/zinc/24/67/13/221246713.db2.gz ZAERURJHNPAFSW-UHFFFAOYSA-N -1 0 393.421 0.997 50 0 GCAARM Nc1nc(SCC(=O)NC[C@@H]2CCCO2)[n-]c(=O)c1NC(=O)c1ccco1 ZINC000018023974 221386118 /nfs/dbraw/zinc/38/61/18/221386118.db2.gz TVZSPDHTNSUHEK-VIFPVBQESA-N -1 0 393.425 0.585 50 0 GCAARM C[C@@H]1CN(c2ccc(NC(=O)c3c([O-])[nH]c(=O)[nH]c3=O)cc2F)C[C@@H](C)O1 ZINC000100687415 136189206 /nfs/dbraw/zinc/18/92/06/136189206.db2.gz CGIFBOXNUWLNBX-RKDXNWHRSA-N -1 0 378.360 0.360 50 0 GCAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cnc(N2CCOCC2)nc1N(C)C ZINC000206734952 136199377 /nfs/dbraw/zinc/19/93/77/136199377.db2.gz AJANQUZXPNWPSW-UHFFFAOYSA-N -1 0 382.446 0.785 50 0 GCAARM C[C@@H](CNC(=O)CSc1n[nH]c(=O)[n-]1)N1CCN(c2ccccc2)CC1 ZINC000186931989 136202229 /nfs/dbraw/zinc/20/22/29/136202229.db2.gz DYIBABNTGXNINJ-ZDUSSCGKSA-N -1 0 376.486 0.517 50 0 GCAARM O=C([O-])c1nn(CC2CC2)c2c1CN(C(=O)C1CCS(=O)(=O)CC1)CC2 ZINC000067820711 222160694 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ZINC000095383425 208173864 /nfs/dbraw/zinc/17/38/64/208173864.db2.gz HZPDOOFDKFITQT-LBPRGKRZSA-N -1 0 384.458 0.298 50 0 GCAARM C[C@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1nnn[n-]1 ZINC000095531820 208229156 /nfs/dbraw/zinc/22/91/56/208229156.db2.gz VDHMHHVFXZVRJG-NSHDSACASA-N -1 0 394.457 0.494 50 0 GCAARM CC(=O)c1cc(F)c([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(F)c1F ZINC000095944143 208238502 /nfs/dbraw/zinc/23/85/02/208238502.db2.gz UHAYOVWWXFZPCZ-UHFFFAOYSA-N -1 0 391.327 0.505 50 0 GCAARM COc1ccccc1CC(=O)N1C[C@@H]2CN(S(C)(=O)=O)C[C@]2(C(=O)[O-])C1 ZINC000096142223 208272404 /nfs/dbraw/zinc/27/24/04/208272404.db2.gz PSGQZOKNEIFDTQ-CXAGYDPISA-N -1 0 382.438 0.042 50 0 GCAARM CCCc1cc(C(=O)N2C[C@H]3CN(S(=O)(=O)CC)C[C@@]3(C(=O)[O-])C2)n(C)n1 ZINC000096152234 208275683 /nfs/dbraw/zinc/27/56/83/208275683.db2.gz JARICWZHGPVPMV-SJCJKPOMSA-N -1 0 398.485 0.181 50 0 GCAARM Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(C)c1 ZINC000095970721 208248829 /nfs/dbraw/zinc/24/88/29/208248829.db2.gz JDJVCRAOIHLBIK-AWEZNQCLSA-N -1 0 384.454 0.674 50 0 GCAARM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3ccc(C(C)(C)C)nn3)cnc21 ZINC000097117123 208338910 /nfs/dbraw/zinc/33/89/10/208338910.db2.gz TZNJUPWMVNCOGT-UHFFFAOYSA-N -1 0 390.425 0.510 50 0 GCAARM COc1ccc(OC)c([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2C(C)=O)c1 ZINC000101765906 208398719 /nfs/dbraw/zinc/39/87/19/208398719.db2.gz BGUNAGBYXLNFMZ-ZDUSSCGKSA-N -1 0 388.380 0.494 50 0 GCAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000006623330 220945749 /nfs/dbraw/zinc/94/57/49/220945749.db2.gz BKYUEOXLGQDEJZ-UHFFFAOYSA-N -1 0 383.451 0.636 50 0 GCAARM CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCC(=O)[O-] ZINC000006659083 220948826 /nfs/dbraw/zinc/94/88/26/220948826.db2.gz XXGLEDWUWLKZKI-QFSBIZTOSA-N -1 0 393.415 0.910 50 0 GCAARM COc1cc([C@H]2CC(=C3C(=O)[N-]C(=O)N(C)C3=O)NN2)cc(OC)c1OC ZINC000008971045 221066949 /nfs/dbraw/zinc/06/69/49/221066949.db2.gz FHOSRNJYSKYHSV-BLKPKJALSA-N -1 0 376.369 0.418 50 0 GCAARM CC(C)C[C@@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)n1c(=O)[nH]c2ccccc2c1=O ZINC000012888895 221242572 /nfs/dbraw/zinc/24/25/72/221242572.db2.gz ZXBWYXAJSHQNLM-SWHYSGLUSA-N -1 0 377.397 0.227 50 0 biogenic GCAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)NCCN3CCOCC3)cc2s1 ZINC000013692668 221282026 /nfs/dbraw/zinc/28/20/26/221282026.db2.gz UMNKEGNKFNGKOO-UHFFFAOYSA-N -1 0 384.483 0.730 50 0 GCAARM O=C([O-])C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)CC1 ZINC000016648835 221368264 /nfs/dbraw/zinc/36/82/64/221368264.db2.gz PEEBAAISDQDMTP-UHFFFAOYSA-N -1 0 388.467 0.706 50 0 GCAARM O=C(NCc1ccnc(N2CCOCC2)c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000048253731 132430658 /nfs/dbraw/zinc/43/06/58/132430658.db2.gz RUEFUGLHSRNNRS-UHFFFAOYSA-N -1 0 382.380 0.185 50 0 GCAARM COc1ccc(F)cc1[C@@H](C(=O)[O-])N1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000063856988 136156533 /nfs/dbraw/zinc/15/65/33/136156533.db2.gz DOCMRHHAMKYTPP-KRWDZBQOSA-N -1 0 376.388 0.876 50 0 GCAARM CC(C)(C(=O)[O-])c1cnc(N2CCO[C@@H](CCO)C2)nc1N1CCOCC1 ZINC000096141128 136184398 /nfs/dbraw/zinc/18/43/98/136184398.db2.gz AUAKKZAHHUJFHC-ZDUSSCGKSA-N -1 0 380.445 0.263 50 0 GCAARM CC(C)(C(=O)[O-])c1cnc(N2CCO[C@H](CCO)C2)nc1N1CCOCC1 ZINC000096141127 136184410 /nfs/dbraw/zinc/18/44/10/136184410.db2.gz AUAKKZAHHUJFHC-CYBMUJFWSA-N -1 0 380.445 0.263 50 0 GCAARM O=C(NC1=NN(c2ccccc2)C(=O)[C@@]1(O)S(=O)(=O)[O-])c1ccccc1 ZINC000057311672 222029540 /nfs/dbraw/zinc/02/95/40/222029540.db2.gz WTFGMAMOGGWVRQ-INIZCTEOSA-N -1 0 375.362 0.353 50 0 GCAARM COc1ccc2cnn(CC(=O)N3CCC(C(=O)[O-])CC3)c(=O)c2c1OC ZINC000061718958 222061796 /nfs/dbraw/zinc/06/17/96/222061796.db2.gz YIDNXHQCDWMNBA-UHFFFAOYSA-N -1 0 375.381 0.737 50 0 GCAARM Cc1ccc(-n2nc(C(=O)N3C[C@@H]4C[C@H](O)[C@@H](O)C[C@@H]4C3)c([O-])cc2=O)cc1 ZINC000071776354 222198454 /nfs/dbraw/zinc/19/84/54/222198454.db2.gz FSGZPKIYDXRGAG-XRGAULLZSA-N -1 0 385.420 0.450 50 0 GCAARM CCOc1ccc([C@@H]2OC(Cc3n[nH]c(=O)[n-]c3=O)=NN2C(C)=O)cc1OC ZINC000085587476 222323045 /nfs/dbraw/zinc/32/30/45/222323045.db2.gz NVNOXZMFLPHUNF-INIZCTEOSA-N -1 0 389.368 0.711 50 0 GCAARM O=C([O-])CN1CCN(Cc2nnc(-c3ccccc3)o2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000095497871 222332285 /nfs/dbraw/zinc/33/22/85/222332285.db2.gz CYOACTDGNVZCFX-UONOGXRCSA-N -1 0 392.437 0.104 50 0 GCAARM CCCn1c2ccccc2n(CCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1=O ZINC000095969817 222367126 /nfs/dbraw/zinc/36/71/26/222367126.db2.gz OBDKCIRSTVQVKU-HNNXBMFYSA-N -1 0 388.424 0.405 50 0 GCAARM Cn1c2ccccc2nc1CN1C[C@@H]2CN(S(C)(=O)=O)C[C@]2(C(=O)[O-])C1 ZINC000096164541 222395639 /nfs/dbraw/zinc/39/56/39/222395639.db2.gz KSYUAIBQJYBIKJ-SJKOYZFVSA-N -1 0 378.454 0.351 50 0 GCAARM Cc1cc(=O)c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)nn1-c1ccccc1F ZINC000262424284 526128805 /nfs/dbraw/zinc/12/88/05/526128805.db2.gz GXGWJSAJXKTMDS-GFCCVEGCSA-N -1 0 375.356 0.996 50 0 GCAARM COC(=O)c1cc(NC(=O)CCn2[n-]c(=O)ccc2=O)cc(C(=O)OC)c1 ZINC000023131514 570345715 /nfs/dbraw/zinc/34/57/15/570345715.db2.gz SAORUXRHVNFFOP-UHFFFAOYSA-N -1 0 375.337 0.551 50 0 GCAARM COc1ccc2[nH]c3c(nc(SCC(N)=O)n(CCC(=O)[O-])c3=O)c2c1 ZINC000004878319 570353779 /nfs/dbraw/zinc/35/37/79/570353779.db2.gz JZZZEPDYNGNWLM-UHFFFAOYSA-N -1 0 376.394 0.939 50 0 GCAARM O=C([O-])CCC(=O)NCCCN1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000004299623 570366474 /nfs/dbraw/zinc/36/64/74/570366474.db2.gz YAQYUMNVWQKTSB-UHFFFAOYSA-N -1 0 389.378 0.989 50 0 GCAARM O=C([O-])CSCC(=O)Nc1ccc(N2CCOCC2)nc1N1CCOCC1 ZINC000004324664 570368220 /nfs/dbraw/zinc/36/82/20/570368220.db2.gz MZJZODQIUMAXBR-UHFFFAOYSA-N -1 0 396.469 0.511 50 0 GCAARM Cn1c2nc3n(c2c(=O)n(CC(=O)[O-])c1=O)CCCN3CCc1ccccc1 ZINC000004940955 570377931 /nfs/dbraw/zinc/37/79/31/570377931.db2.gz UZIMYSKYSDXQLZ-UHFFFAOYSA-N -1 0 383.408 0.434 50 0 GCAARM NC(=O)C1CCN(S(=O)(=O)c2ccc3ncc(C(=O)[O-])c(O)c3c2)CC1 ZINC000004659664 570390079 /nfs/dbraw/zinc/39/00/79/570390079.db2.gz FQRISNAASLFCRT-UHFFFAOYSA-N -1 0 379.394 0.112 50 0 GCAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000248304419 570452959 /nfs/dbraw/zinc/45/29/59/570452959.db2.gz MEOAQPLDKBMEMZ-CYBMUJFWSA-N -1 0 386.474 0.462 50 0 GCAARM CCn1cc([N-]S(=O)(=O)c2cnn(C)c2)c(C(=O)NCc2ccco2)n1 ZINC000002804870 570517512 /nfs/dbraw/zinc/51/75/12/570517512.db2.gz ZDHLBUBSNCNUQG-UHFFFAOYSA-N -1 0 378.414 0.960 50 0 GCAARM CCCCOc1ccc(C(=O)NCC(=O)NCCCc2n[nH]c(=O)[n-]2)cc1 ZINC000072311597 570548576 /nfs/dbraw/zinc/54/85/76/570548576.db2.gz ULEPFJZCPFPEJI-UHFFFAOYSA-N -1 0 375.429 0.756 50 0 GCAARM Cn1cc(CN(CCS(=O)(=O)N2CCCCC2)C(=O)CCC(=O)[O-])cn1 ZINC000009530977 570559542 /nfs/dbraw/zinc/55/95/42/570559542.db2.gz BQACSWVAAWHFLU-UHFFFAOYSA-N -1 0 386.474 0.429 50 0 GCAARM CS(=O)(=O)N1CC[NH+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1 ZINC000036360601 570643106 /nfs/dbraw/zinc/64/31/06/570643106.db2.gz SDZLGQPMVLTJMF-INIZCTEOSA-N -1 0 395.437 0.429 50 0 GCAARM Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262441407 570674092 /nfs/dbraw/zinc/67/40/92/570674092.db2.gz NIVFXVKUXZDEOB-CABCVRRESA-N -1 0 377.376 0.607 50 0 GCAARM Cn1c2nc3n(c2c(=O)n(CC(=O)[O-])c1=O)CCN3c1ccc(Cl)cc1 ZINC000004370787 570724642 /nfs/dbraw/zinc/72/46/42/570724642.db2.gz HLVLHYIRAYSJEB-UHFFFAOYSA-N -1 0 375.772 0.786 50 0 GCAARM Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)CCC(=O)[O-])CC2)cc1 ZINC000004393836 570729904 /nfs/dbraw/zinc/72/99/04/570729904.db2.gz PKPGFHUJSGRVTD-UHFFFAOYSA-N -1 0 384.454 0.709 50 0 GCAARM Cc1c(C)[n+]([O-])c([C@@H](c2c([O-])[nH]c(=O)[nH]c2=O)[C@@H]2CC=CCC2)n1CCO ZINC000524734544 570771963 /nfs/dbraw/zinc/77/19/63/570771963.db2.gz PTQODJUXHYLWLY-CHWSQXEVSA-N -1 0 376.413 0.153 50 0 GCAARM Cc1c(C)[n+]([O-])c([C@H](c2c([O-])[nH]c(=O)[nH]c2=O)[C@@H]2CC=CCC2)n1CCO ZINC000524734545 570772017 /nfs/dbraw/zinc/77/20/17/570772017.db2.gz PTQODJUXHYLWLY-OLZOCXBDSA-N -1 0 376.413 0.153 50 0 GCAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1 ZINC000583652324 570805324 /nfs/dbraw/zinc/80/53/24/570805324.db2.gz ZRRJRCJMOMIWGI-LLVKDONJSA-N -1 0 378.406 0.930 50 0 GCAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1 ZINC000583652325 570805342 /nfs/dbraw/zinc/80/53/42/570805342.db2.gz ZRRJRCJMOMIWGI-NSHDSACASA-N -1 0 378.406 0.930 50 0 GCAARM CC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@H]1c1c[nH]c2ccccc21 ZINC000101455627 570823681 /nfs/dbraw/zinc/82/36/81/570823681.db2.gz RQUSXRDQPXIGAO-HNNXBMFYSA-N -1 0 381.392 0.969 50 0 GCAARM CCOc1ccc([C@@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2C(C)=O)cc1 ZINC000101456314 570824185 /nfs/dbraw/zinc/82/41/85/570824185.db2.gz FRLGRYFFRVTWAJ-HNNXBMFYSA-N -1 0 386.408 0.886 50 0 GCAARM COc1cc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2)cc(OC)c1OC ZINC000101763582 570833227 /nfs/dbraw/zinc/83/32/27/570833227.db2.gz XZMKXSXQIUUIPI-SECBINFHSA-N -1 0 376.369 0.244 50 0 GCAARM NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c2ccccc2O1 ZINC000032831112 570844645 /nfs/dbraw/zinc/84/46/45/570844645.db2.gz AAHZSYSEIRWTJB-HNNXBMFYSA-N -1 0 392.389 0.592 50 0 GCAARM COc1ccccc1C(=O)N1C[C@H](C(=O)N2CCN(C)CC2)C[C@H](C(=O)[O-])C1 ZINC000072157975 570874901 /nfs/dbraw/zinc/87/49/01/570874901.db2.gz UTIYRIBTSKSTMB-CABCVRRESA-N -1 0 389.452 0.632 50 0 GCAARM Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1[C@H](Cc1ccccc1)C(=O)[O-] ZINC000170624308 570880618 /nfs/dbraw/zinc/88/06/18/570880618.db2.gz UDJBJNOFBGYETC-CYBMUJFWSA-N -1 0 381.392 0.863 50 0 GCAARM CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)[O-] ZINC000002159848 570974838 /nfs/dbraw/zinc/97/48/38/570974838.db2.gz KBBYQRYOSLVUEW-VOJFVSQTSA-N -1 0 390.392 0.904 50 0 biogenic GCAARM O=C(c1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)[nH]c1=O)N1CCCCC1 ZINC000033330698 570986526 /nfs/dbraw/zinc/98/65/26/570986526.db2.gz XFFFHXWPKLEYQK-UHFFFAOYSA-N -1 0 378.410 0.490 50 0 GCAARM O=C([O-])CCN1CCN(Cc2cn3ccccc3n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091974112 571038422 /nfs/dbraw/zinc/03/84/22/571038422.db2.gz NZVHARYKLFBOLY-CABCVRRESA-N -1 0 378.454 0.092 50 0 GCAARM CCc1nc(C)ccc1OCC(=O)N1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-] ZINC000095368089 571059535 /nfs/dbraw/zinc/05/95/35/571059535.db2.gz QRDDXWWBSXPHRF-ZDUSSCGKSA-N -1 0 375.425 0.913 50 0 GCAARM CCOc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])cc1 ZINC000095376492 571064822 /nfs/dbraw/zinc/06/48/22/571064822.db2.gz SSTNSEUGSVCLOT-CQSZACIVSA-N -1 0 382.438 0.829 50 0 GCAARM CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299753469 601282846 /nfs/dbraw/zinc/28/28/46/601282846.db2.gz YHZWQGIOUUOYNH-HOTGVXAUSA-N -1 0 377.372 0.666 50 0 GCAARM O=C([N-]S(=O)(=O)C[C@@H]1COCCO1)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000888100334 638647226 /nfs/dbraw/zinc/64/72/26/638647226.db2.gz XJVQUSRBYSTCTI-QWHCGFSZSA-N -1 0 377.365 0.948 50 0 GCAARM O=C([N-]S(=O)(=O)C[C@H]1COCCO1)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC000888100333 638647259 /nfs/dbraw/zinc/64/72/59/638647259.db2.gz XJVQUSRBYSTCTI-OLZOCXBDSA-N -1 0 377.365 0.948 50 0 GCAARM CO[C@@H](CS(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1OCCO)C1CC1 ZINC000888096669 638647330 /nfs/dbraw/zinc/64/73/30/638647330.db2.gz HKTGGDBXOQXIKT-HNNXBMFYSA-N -1 0 393.483 0.628 50 0 GCAARM CCOc1nc(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C(=O)OC)n1 ZINC000022016269 1184753328 /nfs/dbraw/zinc/75/33/28/1184753328.db2.gz VTLWBBPPDRIRAT-UHFFFAOYSA-N -1 0 395.397 0.876 50 0 GCAARM O=C(NCc1n[nH]c(=O)[n-]1)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000584897163 1189704519 /nfs/dbraw/zinc/70/45/19/1189704519.db2.gz SLLNHYVVYPWAGW-UHFFFAOYSA-N -1 0 380.430 0.163 50 0 GCAARM Cn1c(=O)cc([O-])nc1SCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000016041794 1196511937 /nfs/dbraw/zinc/51/19/37/1196511937.db2.gz RXNGTNAXCVPHHW-NEPJUHHUSA-N -1 0 388.449 0.386 50 0 GCAARM CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H]2CCc3ccccc32)CCO1 ZINC000262953144 1197539404 /nfs/dbraw/zinc/53/94/04/1197539404.db2.gz OYYOLIJKBLYAIL-HOCLYGCPSA-N -1 0 396.465 0.290 50 0 GCAARM CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cc(C(F)(F)F)nn3C)[C@H]2SC1 ZINC000002784993 1199936839 /nfs/dbraw/zinc/93/68/39/1199936839.db2.gz DKRCWUMYQNGXNB-PRHODGIISA-N -1 0 390.343 0.811 50 0 GCAARM CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cc(C(F)(F)F)nn3C)[C@@H]2SC1 ZINC000002784992 1199936988 /nfs/dbraw/zinc/93/69/88/1199936988.db2.gz DKRCWUMYQNGXNB-PELKAZGASA-N -1 0 390.343 0.811 50 0 GCAARM CC(=O)N1CC(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C1 ZINC000070811707 1200395627 /nfs/dbraw/zinc/39/56/27/1200395627.db2.gz VJSAUZAQKAZUTD-UHFFFAOYSA-N -1 0 375.410 0.694 50 0 GCAARM CC(=O)Nc1cc(C(=O)N2CCO[C@@H](CN(CC(=O)[O-])C(C)=O)C2)ccc1C ZINC000681943170 1201944015 /nfs/dbraw/zinc/94/40/15/1201944015.db2.gz JDMHBIDMFDZJMP-MRXNPFEDSA-N -1 0 391.424 0.728 50 0 GCAARM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2cnc3cc(C)nn3c2C)CCO1 ZINC000681940347 1201944180 /nfs/dbraw/zinc/94/41/80/1201944180.db2.gz AADFYBJOXILQHD-AWEZNQCLSA-N -1 0 389.412 0.120 50 0 GCAARM Cc1cc([N-]S(=O)(=O)c2ccc(OCCNS(C)(=O)=O)cc2)no1 ZINC000002879196 530116795 /nfs/dbraw/zinc/11/67/95/530116795.db2.gz CCGRSCOTRGGFLE-UHFFFAOYSA-N -1 0 375.428 0.712 50 0 GCAARM NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000269200656 530170509 /nfs/dbraw/zinc/17/05/09/530170509.db2.gz REFZYWCBVRQMIN-SSDOTTSWSA-N -1 0 377.216 0.643 50 0 GCAARM COC(=O)c1[n-]n(N=O)c2c(O)n(-c3cccc(Br)c3)c(=O)c1-2 ZINC000005067503 530271388 /nfs/dbraw/zinc/27/13/88/530271388.db2.gz GWZKVOFSEDYVEX-WCBMZHEXSA-N -1 0 381.142 0.833 50 0 GCAARM COC(=O)c1[n-]n(N=O)c2c(O)n(-c3cccc(Br)c3)c(=O)c1-2 ZINC000005067505 530271526 /nfs/dbraw/zinc/27/15/26/530271526.db2.gz GWZKVOFSEDYVEX-WPRPVWTQSA-N -1 0 381.142 0.833 50 0 GCAARM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000647928099 530288175 /nfs/dbraw/zinc/28/81/75/530288175.db2.gz DSSOXQJCNOQMSJ-AWEZNQCLSA-N -1 0 377.440 0.344 50 0 GCAARM Cn1c2nc(Br)n(Cc3ccccc3)c2c(=O)n(CC(=O)[O-])c1=O ZINC000005387385 530310358 /nfs/dbraw/zinc/31/03/58/530310358.db2.gz HMICMZAERLNUNM-UHFFFAOYSA-N -1 0 393.197 0.792 50 0 GCAARM CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1)C(=O)[O-] ZINC000016650200 530561585 /nfs/dbraw/zinc/56/15/85/530561585.db2.gz ISJUYAKYAZTXJF-GFCCVEGCSA-N -1 0 376.456 0.608 50 0 GCAARM CS(=O)(=O)c1ccc(OCCCO)c([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000630095944 531000711 /nfs/dbraw/zinc/00/07/11/531000711.db2.gz PWIGQNQOCQQEQU-UHFFFAOYSA-N -1 0 375.428 0.375 50 0 GCAARM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)[nH]n2)c1 ZINC000489475647 531189595 /nfs/dbraw/zinc/18/95/95/531189595.db2.gz MAHDLRGHMFUNDK-UHFFFAOYSA-N -1 0 379.423 0.920 50 0 GCAARM C/C=C/C1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@@H]2SC1 ZINC000002009222 212261542 /nfs/dbraw/zinc/26/15/42/212261542.db2.gz WDLWHQDACQUCJR-TZBKRISWSA-N -1 0 389.433 0.707 50 0 GCAARM CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000261492886 212140644 /nfs/dbraw/zinc/14/06/44/212140644.db2.gz LSGQBKXSCAVGDH-UBHSHLNASA-N -1 0 384.454 0.985 50 0 GCAARM Cc1cc(OCC(=O)NCC(=O)NCC(=O)[O-])c2c3c(c(=O)oc2c1)CCC3 ZINC000002114996 206291732 /nfs/dbraw/zinc/29/17/32/206291732.db2.gz AJQFKLQQVFZXOW-UHFFFAOYSA-N -1 0 388.376 0.286 50 0 biogenic GCAARM CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCC(=O)NCC(=O)[O-])ccc12 ZINC000002137167 206291780 /nfs/dbraw/zinc/29/17/80/206291780.db2.gz IQMDYYCVZOKLKD-NSHDSACASA-N -1 0 390.392 0.748 50 0 biogenic GCAARM COc1ccccc1NC(=O)CSc1nnc(CCC(=O)[O-])c(=O)n1N ZINC000009638507 206794281 /nfs/dbraw/zinc/79/42/81/206794281.db2.gz VBTDWPZUEPFGQI-UHFFFAOYSA-N -1 0 379.398 0.109 50 0 GCAARM COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(=O)[O-])NC=O ZINC000015414502 207051943 /nfs/dbraw/zinc/05/19/43/207051943.db2.gz LWDYPJAFJQKUIW-CABCVRRESA-N -1 0 375.381 0.348 50 0 GCAARM CC1(C)[C@H](C(=O)[O-])N2C(=O)C(Br)(Br)[C@@H]2[S@]1=O ZINC000015919768 207068088 /nfs/dbraw/zinc/06/80/88/207068088.db2.gz AYTKEKBIWRHMGU-YLRPCSSXSA-N -1 0 375.038 0.635 50 0 GCAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)n1 ZINC000020614926 207206906 /nfs/dbraw/zinc/20/69/06/207206906.db2.gz TTXCACTVXSUISW-UHFFFAOYSA-N -1 0 384.439 0.327 50 0 GCAARM CO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000025758680 207306426 /nfs/dbraw/zinc/30/64/26/207306426.db2.gz SYHSDOOWPNQIAY-SNVBAGLBSA-N -1 0 390.845 0.906 50 0 GCAARM O=C([O-])[C@H]1CN(c2ncccn2)CCN1C(=O)c1scc2c1OCCO2 ZINC000071751353 207950046 /nfs/dbraw/zinc/95/00/46/207950046.db2.gz IFWWWUMYBSUKLL-SNVBAGLBSA-N -1 0 376.394 0.725 50 0 GCAARM NC(=O)NCC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2C1 ZINC000077519317 208049244 /nfs/dbraw/zinc/04/92/44/208049244.db2.gz KQIPDESIHQPJMH-UHFFFAOYSA-N -1 0 389.437 0.435 50 0 GCAARM CN(C(=O)N1CCN(CCC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21)c1ccccc1 ZINC000091504690 208121714 /nfs/dbraw/zinc/12/17/14/208121714.db2.gz BKJOJVVJZMNWKG-CABCVRRESA-N -1 0 381.454 0.501 50 0 GCAARM Cn1cc(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])c(=O)c2ccccc21 ZINC000095368858 208167913 /nfs/dbraw/zinc/16/79/13/208167913.db2.gz FAKNSOAXNOTTBJ-CQSZACIVSA-N -1 0 383.404 0.734 50 0 GCAARM COCCn1nc(C(=O)N[C@@](C)(C(=O)[O-])c2cc(F)ccc2F)ccc1=O ZINC000095424520 208181064 /nfs/dbraw/zinc/18/10/64/208181064.db2.gz GBPRDNBFTQMUER-QGZVFWFLSA-N -1 0 381.335 0.898 50 0 GCAARM C[C@@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1nnn[n-]1 ZINC000095531821 208231071 /nfs/dbraw/zinc/23/10/71/208231071.db2.gz VDHMHHVFXZVRJG-LLVKDONJSA-N -1 0 394.457 0.494 50 0 GCAARM C[C@H](CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnn[n-]1 ZINC000095942113 208240455 /nfs/dbraw/zinc/24/04/55/208240455.db2.gz FFLQIYZPVLAPBV-CYBMUJFWSA-N -1 0 392.485 0.837 50 0 GCAARM CCS(=O)(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@]2(C(=O)[O-])C1 ZINC000096160880 208278751 /nfs/dbraw/zinc/27/87/51/208278751.db2.gz QLABFLUMTMFZQO-SJCJKPOMSA-N -1 0 376.438 0.802 50 0 GCAARM COc1cc([C@@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2)cc(OC)c1OC ZINC000101761588 208399290 /nfs/dbraw/zinc/39/92/90/208399290.db2.gz UREKIFGFSSVILH-JTQLQIEISA-N -1 0 390.396 0.254 50 0 GCAARM COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC2=O)cc1 ZINC000004084384 208535659 /nfs/dbraw/zinc/53/56/59/208535659.db2.gz YFEZOAPEIMTQOE-SRVKXCTJSA-N -1 0 377.397 0.142 50 0 biogenic GCAARM CC(C)C[C@@H](C(=O)N[C@@H](C(=O)[O-])[C@H](C)O)n1c(=O)[nH]c2ccccc2c1=O ZINC000012889110 208777540 /nfs/dbraw/zinc/77/75/40/208777540.db2.gz ZXBWYXAJSHQNLM-LEWSCRJBSA-N -1 0 377.397 0.227 50 0 biogenic GCAARM O=C([O-])c1cccc(S(=O)(=O)N2CCCn3nc([C@H](O)CO)cc3C2)c1 ZINC000220111839 208858428 /nfs/dbraw/zinc/85/84/28/208858428.db2.gz KMHNWKWWONZFRR-OAHLLOKOSA-N -1 0 381.410 0.202 50 0 GCAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1 ZINC000004215221 220692557 /nfs/dbraw/zinc/69/25/57/220692557.db2.gz GOFCPYKUMJBHBH-RHSMWYFYSA-N -1 0 390.417 0.531 50 0 in-man GCAARM CSCC[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004762562 220762517 /nfs/dbraw/zinc/76/25/17/220762517.db2.gz VLJOWOASNQUTGI-CYBMUJFWSA-N -1 0 397.453 0.352 50 0 GCAARM COC(=O)C[C@H](c1ccc(OCC(N)=O)cc1)c1c([O-])nc2ccccn2c1=O ZINC000096114617 209010756 /nfs/dbraw/zinc/01/07/56/209010756.db2.gz YJGIREFPDYGOHJ-CQSZACIVSA-N -1 0 397.387 0.959 50 0 biogenic GCAARM Cc1ccc(C)c(-c2nc3[nH]c(=O)[nH]c([O-])c-3c2-c2c(N)[nH]c(=O)[nH]c2=O)c1 ZINC000008990136 221066485 /nfs/dbraw/zinc/06/64/85/221066485.db2.gz SDSBWRDIOONUHZ-UHFFFAOYSA-N -1 0 380.364 0.454 50 0 GCAARM COc1ccc(CC(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])cc1OC ZINC000095375420 533436495 /nfs/dbraw/zinc/43/64/95/533436495.db2.gz FUNAAIIWHFYKDM-CYBMUJFWSA-N -1 0 376.409 0.828 50 0 GCAARM O=C([O-])CC[C@]1(CCC(=O)N2CCN(c3ncccn3)CC2)CCC(=O)N1 ZINC000222323183 136204717 /nfs/dbraw/zinc/20/47/17/136204717.db2.gz ZGDSOLJQVBXIBH-GOSISDBHSA-N -1 0 375.429 0.419 50 0 GCAARM O=C(NCc1n[nH]c(=O)[n-]1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 ZINC000067654137 222152195 /nfs/dbraw/zinc/15/21/95/222152195.db2.gz QNPYHKLLKCQWET-UHFFFAOYSA-N -1 0 397.439 0.334 50 0 GCAARM CC(C)=CCN1CCN(C(=O)CCc2cc(=O)[n-]o2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072477772 222267752 /nfs/dbraw/zinc/26/77/52/222267752.db2.gz JJEBBSUHTBGIAT-CABCVRRESA-N -1 0 383.470 0.589 50 0 GCAARM O=C([O-])COc1ccccc1CN1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000072410197 222255644 /nfs/dbraw/zinc/25/56/44/222255644.db2.gz JCBCMETUEIPOLB-SJORKVTESA-N -1 0 394.493 0.843 50 0 GCAARM Cc1cc(=O)n2nc(CC(=O)N[C@H]3CCCN(Cc4ccccn4)C3)[n-]c2n1 ZINC000072407967 222255675 /nfs/dbraw/zinc/25/56/75/222255675.db2.gz PWHHEUXYEDNMCM-HNNXBMFYSA-N -1 0 381.440 0.857 50 0 GCAARM O=C([O-])C[C@H]1COCCN1C(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000072454230 222263488 /nfs/dbraw/zinc/26/34/88/222263488.db2.gz HJUVHBXVAPZEQS-NSHDSACASA-N -1 0 388.467 0.848 50 0 GCAARM Cc1ccc2nc(CN3C[C@@H]4CN(S(C)(=O)=O)C[C@]4(C(=O)[O-])C3)cn2c1 ZINC000096147842 222389085 /nfs/dbraw/zinc/38/90/85/222389085.db2.gz MIGSPJWXNOPODJ-CXAGYDPISA-N -1 0 378.454 0.421 50 0 GCAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)NCCN3CCOCC3)C2=O)cc1 ZINC000020292889 570251905 /nfs/dbraw/zinc/25/19/05/570251905.db2.gz SUZGAHITZPVILV-DTQAZKPQSA-N -1 0 388.424 0.474 50 0 GCAARM Cc1nn2c([n-]1)ncc(C(=O)N1C[C@H]3CC[C@@H]1CN(c1ncccn1)C3)c2=O ZINC000102789248 570256648 /nfs/dbraw/zinc/25/66/48/570256648.db2.gz TXLIODSHZHWLOS-QWHCGFSZSA-N -1 0 380.412 0.257 50 0 GCAARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000002853048 570309203 /nfs/dbraw/zinc/30/92/03/570309203.db2.gz HCIDQJNHCUYFEL-AWEZNQCLSA-N -1 0 389.389 0.191 50 0 GCAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)NN2CCOCC2)cc1 ZINC000002853538 570309508 /nfs/dbraw/zinc/30/95/08/570309508.db2.gz OQDWUQJHEWVYCB-UHFFFAOYSA-N -1 0 394.482 0.811 50 0 GCAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cccc(F)c3)[C@@H]2SC1 ZINC000006186337 570317309 /nfs/dbraw/zinc/31/73/09/570317309.db2.gz XYZUIXSBIOPTBW-WBMJQRKESA-N -1 0 394.380 0.741 50 0 GCAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cccc(F)c3)[C@@H]2SC1 ZINC000006186338 570317402 /nfs/dbraw/zinc/31/74/02/570317402.db2.gz XYZUIXSBIOPTBW-LRDDRELGSA-N -1 0 394.380 0.741 50 0 GCAARM COC(=O)C[C@@H](c1ccc(OCC(N)=O)cc1)c1c([O-])n2ccccc2nc1=O ZINC000205956168 570340829 /nfs/dbraw/zinc/34/08/29/570340829.db2.gz GEDRREHBKQMUDS-AWEZNQCLSA-N -1 0 397.387 0.959 50 0 GCAARM 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MUHHYSUUPJVENS-UHFFFAOYSA-N -1 0 378.410 0.265 50 0 GCAARM CCCn1nc(C(=O)[O-])c2c1CC[C@@H](N1CCN(C(=O)c3nc[nH]n3)CC1)C2 ZINC000067540293 570781061 /nfs/dbraw/zinc/78/10/61/570781061.db2.gz BTAPKSUURDKYKV-GFCCVEGCSA-N -1 0 387.444 0.425 50 0 GCAARM NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c2ccccc2O1 ZINC000032831114 570844561 /nfs/dbraw/zinc/84/45/61/570844561.db2.gz AAHZSYSEIRWTJB-OAHLLOKOSA-N -1 0 392.389 0.592 50 0 GCAARM CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C1=O ZINC000013686288 570899631 /nfs/dbraw/zinc/89/96/31/570899631.db2.gz VCPJMEGTBGBMQN-UHFFFAOYSA-N -1 0 396.450 0.980 50 0 GCAARM COc1ccc2c(C)c(CC(=O)NCC(=O)NCC(=O)[O-])c(=O)oc2c1C ZINC000002156076 570973340 /nfs/dbraw/zinc/97/33/40/570973340.db2.gz HYOPRNIGXKNUBP-UHFFFAOYSA-N -1 0 376.365 0.278 50 0 biogenic GCAARM COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(C(=O)N3CCN(C)CC3)C[C@H]21 ZINC000095362733 571056345 /nfs/dbraw/zinc/05/63/45/571056345.db2.gz JTQPDGBWDJKNDR-DNVCBOLYSA-N -1 0 375.425 0.925 50 0 GCAARM 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